BACKGROUND With the continuous development of laparoscopic techniques in recent years,laparoscopic total mesorectal excision(LapTME)and laparoscopic-assisted transanal total mesorectal excision(TaTME)have gradually be...BACKGROUND With the continuous development of laparoscopic techniques in recent years,laparoscopic total mesorectal excision(LapTME)and laparoscopic-assisted transanal total mesorectal excision(TaTME)have gradually become important surgical techniques for treating low-lying rectal cancer(LRC).However,there is still controversy over the efficacy and safety of these two surgical modalities in LRC treatment.AIM To compare the efficacy of LapTME vs TaTME in patients with LRC.METHODS Ninety-four patients with LRC who visited and were treated at the Affiliated Hengyang Hospital of Hunan Normal University&Hengyang Central Hospital between December 2022 and March 2024 were selected and divided into the LapTME(n=44)and TaTME(n=50)groups.Clinical operation indexes,postoperative recovery indicators,and postoperative complications were recorded.The anal resting pressure(ARP),anal maximum systolic pressure(MSP),and maximum tolerated volume(MTV)of the anal canal were also measured.The intestinal function of patients was evaluated by the Memorial Sloan Kettering Cancer Center(MSKCC)bowel function questionnaire.Serum norepinephrine(NE),adrenaline(AD),and cortisol(Cor)levels were measured.The Quality of Life Questionnaire Core 30(QLQC30)was used for quality of life assessment.RESULTS Compared with the LapTME group,the surgery time in the TaTME group was longer;intraoperative blood loss was low;time of anal exhaust,first postoperative ambulation,intestinal recovery,and hospital stay were shorter;and the distal incisal margin and specimen lengths were longer.The TaTME group also showed higher ARP,MSP,and MTV values and higher MSKCC and QLQ-C30 scores than the LapTME group 3 months postoperatively.Cor,AD,and NE levels were lower in the TaTME group than those in the LapTME group during recovery.CONCLUSION We demonstrated that TaTME better improved anal function,reduced postoperative stress,and accelerated postoperative recovery and,hence,was safer for patients with LRC.展开更多
A multireference configuration interaction （MRCI） study has been carried out on the LiCl molecule. The potential energy has been calculated over a wide range of internuclear separation for the 21 low-lying electroni...A multireference configuration interaction （MRCI） study has been carried out on the LiCl molecule. The potential energy has been calculated over a wide range of internuclear separation for the 21 low-lying electronic states of the LiCl molecule dissociating into Li （^2S, ^2p, ^3S）＋Cl （^2p）. The （4）^1∑^＋, （3）∏, 1-3^3∑^＋, 1-3^3∏, 1,3Δ, ^1,3∑^-, （5）^1∑^＋,（4）^3∑^＋, （4）^3∏, （4）^3∏ excited states are studied for the first time in theory. Molecular spectroscopic constants .（Re, De,ωe, ωeΧe,Be and αe） have been derived for the 9 bound states （X^1∑^＋, （3）^1∑^＋, （2）^3∑^＋, ^1,3Δ, ^1,3∑^-, （4）^∏, （4）^3∏） with a regular shape, and the spectroscopic constants of ground states X^1 ∑^＋ are in good agreement with available experimental and theoretical values. The relative differences between experimental values and our values for Re, De, ωe, ωeΧe, Be and α3 are 1.02%, 0.60%, 1.72%, 9.46%, 2.0%, and 0.75%, respectively. Moreover, vibrational levels of 9 bound states, which have not been investigated experimentally, are computed.展开更多
Although there are diverse bond features of Ti and O atoms,so far only several isomers have been reported for each(TiO_(2))n cluster.Instead of the widely used global optimization,in this work,we search for the low-ly...Although there are diverse bond features of Ti and O atoms,so far only several isomers have been reported for each(TiO_(2))n cluster.Instead of the widely used global optimization,in this work,we search for the low-lying isomers of(TiO_(2))_(n)(n=2-8)clusters with up to 10000 random sampling initial structures.These structures were optimized by the PM6 method,followed by density functional theory calculations.With this strategy,we have located many more low-lying isomers than thosereported previously.The number of isomers increases dramatically with the size of the cluster,and about 50 isomers were found for(TiO_(2))_(7) and(TiO_(2))_(8) with the energy within 30 kcal/mol.Furthermore,new lowest isomers have been located for(TiO_(2))_(5) and(TiO_(2))_(8),and isomers with three terminal oxygen atoms,five coordinated oxygen atoms as well as six coordinated titanium atoms have been located.Our work highlights the diverse structural features and a large number of isomers of small TiO_(2) clusters.展开更多
The equilibrium geometries,excitation energies,force constants and vibrational frequencies for the low-ly- ing electronic states X ~2B_1,~2A_1,~2B_2 and ~2A_2 of the AsH_2 radical have been calculated at the MRSDCI le...The equilibrium geometries,excitation energies,force constants and vibrational frequencies for the low-ly- ing electronic states X ~2B_1,~2A_1,~2B_2 and ~2A_2 of the AsH_2 radical have been calculated at the MRSDCI level with a 3-21G~* basis set.Our calculated geometries,excitation enegies and vibional frequencies for the X ~2B_1 and ~2A_1 states are in good agreement with available experimental data.The electronic transition dipole mo- ments,oscillator strengths for the ~2A_1→X ~2B_1 and ~2A_2→X ~2B_1 transitions,radiative lifetimes for the ~2A_1 and ~2A_2 states are calculated based on the MRSDC^1 wavefunctions,predicting results in reasonable agreement with available experiment.展开更多
The completely unexplored LaP molecule is investigated by ab initio methods. Potential energy curves for the lowlying states of LaP are constructed by means of the diffusion Monte Carlo method combined with three diff...The completely unexplored LaP molecule is investigated by ab initio methods. Potential energy curves for the lowlying states of LaP are constructed by means of the diffusion Monte Carlo method combined with three different trial functions. Spectroscopic constants are also numerically derived and the ground state is assigned, looking forward to experimental comparisons. Moreover, variations of the permanent dipole moments as a function of the internuclear separation for the two lowest states of the diatomic LaP are studied and analyzed.展开更多
Low-lying prairie wetland, which has characteristics of both grassland and wetland, has irreplaceable ecological functions in inland river basins of Northwest China. Owing to its small-scale distribution, so far, the ...Low-lying prairie wetland, which has characteristics of both grassland and wetland, has irreplaceable ecological functions in inland river basins of Northwest China. Owing to its small-scale distribution, so far, the observation and research on it are rare. The estimation of evapotranspiration is significant to ecological and environmental construction, scientific management of pasture and protection of wetland. For studying the evapotranspiration （ET） of low-lying prairie wetland in the middle reaches of the Heihe River, an inland river, in Northwest China, the automatic weather station in Linze Ecological Experimental Station of Lanzhou University （39°15′ 3″N, 100°03′ 52″ E）, Linze, Gansu Province, was selected as a case study. Based on meteorological data collected, Bowen-Ratio Energy Balance （BREB） method was used to calculate the evapotranspiration （ET） of low-lying prairie wetland. The analysis results showed that in a whole year （September 2003 -August 2004）, the total ET was 611.5mm and mean daily 1.67mm/d. The ET varied with different growing stages. In non-growing stage （NGS）, initial growing stage （IGS）, middle growing stage （MGS） and end growing stage （EGS）, the ET was 0.57, 2.01, 3.82 and 1.49mrrdd, with a percentage of total ET of 18.26%, 9.20%, 61.83% and 10.71% respectively. In March, ET began to increase. But in April, the ET increased most. After that, it increased gradually and got the maximal value in July. From then on, the ET decreased gradually. In September, the ET decreased rapidly. With the ending of growing and the freezing of soil, the ET stopped from the middle of November to February in next year. Hourly ET analysis showed that at 8：00 a.m. （during MGS at 7：00 a.m.）, the evapotranspiration began, at 13：00 p.m. got its maximal value and at 19：00 p.m. （during MGS at 20：00 p.m.）, the evapotranspiration stopped. The intensity of ET in sunny day was much larger than that in cloudy day in the same growing stage.展开更多
Most of China's wetland areas are located in Sanjiang Plain (Three River Basin). It's area has 207×104 hm2 of wet and low-lying farmland, of which 59% is cropped. During 1970s and 1980s, the Chinese gover...Most of China's wetland areas are located in Sanjiang Plain (Three River Basin). It's area has 207×104 hm2 of wet and low-lying farmland, of which 59% is cropped. During 1970s and 1980s, the Chinese government organized intensive scientific research into potential changes to existing natural resources conditions for this farmland. The aim was to make the water resources regime beneficial to crop production. Arterial drainage, field drainage and appropriate sub-soil treatments were suggested. The Four Waters converting mechanism and the estimation of the Four Water converting amount in wet and low-lying farmland were discussed in the paper.展开更多
The transition energies, E1 transitional oscillator strengths of the spin-allowed as well as the spin-forbidden and the corresponding transition rates, and complete M1, E2, M2 forbidden transition rates for 1s^(2), 1s...The transition energies, E1 transitional oscillator strengths of the spin-allowed as well as the spin-forbidden and the corresponding transition rates, and complete M1, E2, M2 forbidden transition rates for 1s^(2), 1s2s, and 1s2p states of He I, are investigated using the multi-configuration Dirac–Hartree–Fock method. In the subsequent relativistic configuration interaction computations, the Breit interaction and the QED effect are considered as perturbation, separately. Our transition energies, oscillator strengths, and transition rates are in good agreement with the experimental and other theoretical results. As a result, the QED effect is not important for helium atoms, however, the effect of the Breit interaction plays a significant role in the transition energies, the oscillator strengths and transition rates.展开更多
Ab initio electronic structure calculations are reported for low-lying electronic states,X ~1Σ^+and A ~1Π of the N_2F^+ molecule.Geometric parameters for the ground state X ~1Σ^+ are predicted by means of mul- tire...Ab initio electronic structure calculations are reported for low-lying electronic states,X ~1Σ^+and A ~1Π of the N_2F^+ molecule.Geometric parameters for the ground state X ~1Σ^+ are predicted by means of mul- tireference single and double excitation configuration interaction(MRSDCI)calculations with a double zeta plus polarization(DZ+P)basis set.Vertical excitation energy for these two electronic states is determined using MRSDCI/DZ+P calculations at the ground state equilibrium geometry.The oscillator strength for the X^1Σ+→ A ~1Π transition and the radiative lifetime for the A^1Π state are calculated based on the MRSDCI wavefunc- tions.展开更多
The ground state and three low-lying states of the H_(3)^(+)are determined by SOCI(Second Order Configuration Interaction)calculations.The results indicate that the^(3)Σ_(u)^(+)state of H_(3)^(+)3 is a bound state,bu...The ground state and three low-lying states of the H_(3)^(+)are determined by SOCI(Second Order Configuration Interaction)calculations.The results indicate that the^(3)Σ_(u)^(+)state of H_(3)^(+)3 is a bound state,but^(1)A_(1)and^(3)A_(1)states are not stable,each of them will dissociate into H_(2)^(+)and H atom.The SOCI energy-1.1144065au at an equidistant nuclear separation of 1.296A is in good agreement with the lowest value reported so far.展开更多
Lifetime measurements of low-lying excited states in 87Zr and 87Nb have been performed via and coincidences. The 124 MeV 32S beam was delivered from the Sector-Focusing Cyclotron (SFC) of the Heavy Ion R-esearch Facil...Lifetime measurements of low-lying excited states in 87Zr and 87Nb have been performed via and coincidences. The 124 MeV 32S beam was delivered from the Sector-Focusing Cyclotron (SFC) of the Heavy Ion R-esearch Facility in Lanzhou (HIRFL). The parent nuclei 87Nb and 87Mo were produced by the respective reactions 58Ni (32S, 3p) and 58Ni (32S, 2p1n), at a beam energy 100 MeV through the 8 m Al degrader.展开更多
In this paper,we study low-lying states of odd-even N=79 isotones,including^(129)Sn,^(131)Te,^(133)Xe,^(135)Ba,and^(137)Ce,within the nucleon-pair approximation(NPA)of the shell model.Low-lying energy levels of these ...In this paper,we study low-lying states of odd-even N=79 isotones,including^(129)Sn,^(131)Te,^(133)Xe,^(135)Ba,and^(137)Ce,within the nucleon-pair approximation(NPA)of the shell model.Low-lying energy levels of these nuclei with both positive and negative parities,as well as B(E2)transition rates and g factors of some low-lying states,are calculated.Most of them agree closely with experimental data.The wave functions of yrast 1/2_(1)^(+),5/2_(1)^(+),7/2_(1)^(+),23/2_(1)^(+)states and negative parity 11/2_(1)^(-)~23/2_(1)^(-)and 27/22_(2)^(-)states of these nuclei are discussed in detail.The NPA calculations show that many of these states have a simple structure in the nucleon-pair basis.展开更多
We study the relevance of nucleon pairs with higher spins, in addition to spin-zero and spin-two pairs (i.e., S D pairs), in low-lying states of even-even Xe nuclei. By including those higher-spin pairs in our configu...We study the relevance of nucleon pairs with higher spins, in addition to spin-zero and spin-two pairs (i.e., S D pairs), in low-lying states of even-even Xe nuclei. By including those higher-spin pairs in our configuration, we recalculate energy level schemes, elec trical quadrupole moments, magnetic moments and electric quadrupole transition rates, for low-lying states of even-even 128-142Xe nuclei. The agreement between our calculated results and the experimental data is substantially improved in comparison with previous studies.展开更多
The calculations on the potential energy curves and spectroscopic constants of the ground and low-lying excited states of BrCl^+, one of the important molecular ions in environment science, have been performed by usin...The calculations on the potential energy curves and spectroscopic constants of the ground and low-lying excited states of BrCl^+, one of the important molecular ions in environment science, have been performed by using the multireference configuration interaction method at high level of theory in quantum chemistry. Through analyses of the effects of the spin-orbit coupling interaction on the electronic structures and spectroscopic properties, the multiconflguration characteristic of the X^2Π ground state and low-lying excited states was established. The spin-orbit coupling splitting energy of the X^2 Π ground state was calculated to be 1814 cm^(-1), close to the experimental value 2070 cm^(-1). The spin-orbit coupling splitting energy of the ~2Π(II) exited state was predicted to be 766 cm^(-1). The transition dipole moments and Frank-Condon factors of the 3/2(III)-X3/2 and 1/2(III)-1/2(I) transitions were estimated, and the radiative lifetimes of the two transitions were briefly discussed.展开更多
Nine low-lying electronic states of the AsP molecule, including ∑＋, ∏, and A symmetries with singlet, triplet, and quintet spin multiplicities, are studied using multi-reference configuration interaction method. Th...Nine low-lying electronic states of the AsP molecule, including ∑＋, ∏, and A symmetries with singlet, triplet, and quintet spin multiplicities, are studied using multi-reference configuration interaction method. The potential energy curves and the spectroscopic constants of these nine states are determined, and compared with the experimental observed data as well as other theoretical works available at present. Three quintet states are reported for the first time. Furthermore, the analytical potential energy functions of these states are fitted using Murrell-Sorbie function and least sauare fitting method.展开更多
We examined the low-lying quadrupole states in Sn isotopes in the framework of fully self-consistent Hartree-Fock+BCS plus QRPA.We focus on the effect of the density-dependence of pairing interaction on the properties...We examined the low-lying quadrupole states in Sn isotopes in the framework of fully self-consistent Hartree-Fock+BCS plus QRPA.We focus on the effect of the density-dependence of pairing interaction on the properties of the low-lying quadrupole state.The SLy5 Skyrme interaction with surface,mixed,and volume pairings is employed in the calculations,respectively.We find that the excitation energies and the corresponding reduced electric transition probabilities of the first 2^(+) state are different,given by the three pairing interactions.The properties of the quasiparticle state,two-quasiparticle excitation energy,reduced transition amplitude,and transition densities in ^(112)Sn are analyzed in detail.Two different mechanisms,the static and dynamical effects,of the pairing correlation are also discussed.The results show that the surface,mixed,and volume pairings indeed affect the properties of the first 2^(+) state in the Sn isotopes.展开更多
The energy levels, transition energy, B （E2） values,intrinsic quadrupole moment Q_0 and potential energy surface for even-even ^（184）W and ^（184）Os nuclei were calculated using IBM-1. The predicted energy levels...The energy levels, transition energy, B （E2） values,intrinsic quadrupole moment Q_0 and potential energy surface for even-even ^（184）W and ^（184）Os nuclei were calculated using IBM-1. The predicted energy levels, transition energy, B（E2） values and intrinsic quadrupole moment Q_0 results are reasonably consistent with the experimental data. A contour plot of the potential energy surfaces shows that two interesting nuclei are deformed and have rotational characters.展开更多
Neutron-rich boron,carbon,and nitrogen isotopes have garnered extensive experimental and theoretical interest.In the present work,we conducted a comprehensive study of these nuclei by utilizing ab initio valence-space...Neutron-rich boron,carbon,and nitrogen isotopes have garnered extensive experimental and theoretical interest.In the present work,we conducted a comprehensive study of these nuclei by utilizing ab initio valence-space in-medium similarity renormalization group calculations with chiral nucleon-nucleon and three-nucleon interactions.First,we systematically calculated the spectra of nuclei.Our results align well with the available experimental data,which are comparable to phenomenological shell model calculations.Subsequently,the evolution of the N=14 and N=16 shell gaps is discussed based on the calculated spectra and the effective single-particle energies.Our calculations suggest that the N=14 neutron subshell is present in the oxygen isotopes but disappears in the boron,carbon,and nitrogen isotopic chains.Moreover,the N=16 subshell is present in all isotopes but gradually decreases from^(24)O to^(21)B.These results provide valuable information for future studies.展开更多
Approaches for predicting low-lying resonances,uniformly treating bound,and resonant levels have been a long-standing goal in nuclear theory.Accordingly,we explored the viability of the complex momentum representation...Approaches for predicting low-lying resonances,uniformly treating bound,and resonant levels have been a long-standing goal in nuclear theory.Accordingly,we explored the viability of the complex momentum representation(CMR)approach coupled with new potentials.We focus on predicting the energy of the low-lying 2p_(3∕2)resonance in 17 O,which is critical for s-process nucleosynthesis and missing in previous theoretical research.Using a Woods-Saxon potential based on the Koning-Delaroche optical model and constrained by the experimental one-neutron separation energy,we successfully predicted the resonant energy of this level for the first time.Our predictions of the bound levels and 1d_(3∕2)resonance agree well with the measurement results.Additionally,we utilize this approach to study the near-threshold resonances that play a role when forming a two-neutron halo in^(29,31)F.We found that the CMR-based predictions of the bound-level energies and unbound 1f7∕2 level agree well with the results obtained using the scattering phase shift method.Subsequently,we successfully found a solution for the 2p_(3∕2)resonance with energy just above the threshold,which is decisive for halo formation.展开更多
While nickel(II)complexes have been widely used as catalysts for carbon-carbon coupling reactions,the exploration of their photophysical and photochemical properties is still in the infancy.Here,a series of square-pla...While nickel(II)complexes have been widely used as catalysts for carbon-carbon coupling reactions,the exploration of their photophysical and photochemical properties is still in the infancy.Here,a series of square-planar Ni(II)complexes[(diNHC)NiX2]bearing chelating benzimidazole-based bis(N-heterocyclic carbene)ligands and varying anionic coligands(1,X=Cl;2,X=Br;3,X=I)are synthesized and structurally characterized.In solid state,both 1 and 2 exhibit orange-red photoluminescence under ambient conditions.The photophysical and electrochemical measurements along with density functional theory(DFT)calculations reveal that the low-energy emissions can be attributed to singlet excited states with ligand-to-ligand charge-transfer(LLCT)character.This work suggests that strong-field N-heterocyclic carbene ligands play a crucial role to achieve the luminescence of Ni(II)complexes.展开更多
基金Supported by Health Research Project of Hunan Provincial Health Commission,No.D202315018915.
文摘BACKGROUND With the continuous development of laparoscopic techniques in recent years,laparoscopic total mesorectal excision(LapTME)and laparoscopic-assisted transanal total mesorectal excision(TaTME)have gradually become important surgical techniques for treating low-lying rectal cancer(LRC).However,there is still controversy over the efficacy and safety of these two surgical modalities in LRC treatment.AIM To compare the efficacy of LapTME vs TaTME in patients with LRC.METHODS Ninety-four patients with LRC who visited and were treated at the Affiliated Hengyang Hospital of Hunan Normal University&Hengyang Central Hospital between December 2022 and March 2024 were selected and divided into the LapTME(n=44)and TaTME(n=50)groups.Clinical operation indexes,postoperative recovery indicators,and postoperative complications were recorded.The anal resting pressure(ARP),anal maximum systolic pressure(MSP),and maximum tolerated volume(MTV)of the anal canal were also measured.The intestinal function of patients was evaluated by the Memorial Sloan Kettering Cancer Center(MSKCC)bowel function questionnaire.Serum norepinephrine(NE),adrenaline(AD),and cortisol(Cor)levels were measured.The Quality of Life Questionnaire Core 30(QLQC30)was used for quality of life assessment.RESULTS Compared with the LapTME group,the surgery time in the TaTME group was longer;intraoperative blood loss was low;time of anal exhaust,first postoperative ambulation,intestinal recovery,and hospital stay were shorter;and the distal incisal margin and specimen lengths were longer.The TaTME group also showed higher ARP,MSP,and MTV values and higher MSKCC and QLQ-C30 scores than the LapTME group 3 months postoperatively.Cor,AD,and NE levels were lower in the TaTME group than those in the LapTME group during recovery.CONCLUSION We demonstrated that TaTME better improved anal function,reduced postoperative stress,and accelerated postoperative recovery and,hence,was safer for patients with LRC.
文摘A multireference configuration interaction （MRCI） study has been carried out on the LiCl molecule. The potential energy has been calculated over a wide range of internuclear separation for the 21 low-lying electronic states of the LiCl molecule dissociating into Li （^2S, ^2p, ^3S）＋Cl （^2p）. The （4）^1∑^＋, （3）∏, 1-3^3∑^＋, 1-3^3∏, 1,3Δ, ^1,3∑^-, （5）^1∑^＋,（4）^3∑^＋, （4）^3∏, （4）^3∏ excited states are studied for the first time in theory. Molecular spectroscopic constants .（Re, De,ωe, ωeΧe,Be and αe） have been derived for the 9 bound states （X^1∑^＋, （3）^1∑^＋, （2）^3∑^＋, ^1,3Δ, ^1,3∑^-, （4）^∏, （4）^3∏） with a regular shape, and the spectroscopic constants of ground states X^1 ∑^＋ are in good agreement with available experimental and theoretical values. The relative differences between experimental values and our values for Re, De, ωe, ωeΧe, Be and α3 are 1.02%, 0.60%, 1.72%, 9.46%, 2.0%, and 0.75%, respectively. Moreover, vibrational levels of 9 bound states, which have not been investigated experimentally, are computed.
基金supported by the National Natural Science Foundation of China(No.92061114 and No.21873096)the Chinese Academy of Sciences(XDB17010200)。
文摘Although there are diverse bond features of Ti and O atoms,so far only several isomers have been reported for each(TiO_(2))n cluster.Instead of the widely used global optimization,in this work,we search for the low-lying isomers of(TiO_(2))_(n)(n=2-8)clusters with up to 10000 random sampling initial structures.These structures were optimized by the PM6 method,followed by density functional theory calculations.With this strategy,we have located many more low-lying isomers than thosereported previously.The number of isomers increases dramatically with the size of the cluster,and about 50 isomers were found for(TiO_(2))_(7) and(TiO_(2))_(8) with the energy within 30 kcal/mol.Furthermore,new lowest isomers have been located for(TiO_(2))_(5) and(TiO_(2))_(8),and isomers with three terminal oxygen atoms,five coordinated oxygen atoms as well as six coordinated titanium atoms have been located.Our work highlights the diverse structural features and a large number of isomers of small TiO_(2) clusters.
文摘The equilibrium geometries,excitation energies,force constants and vibrational frequencies for the low-ly- ing electronic states X ~2B_1,~2A_1,~2B_2 and ~2A_2 of the AsH_2 radical have been calculated at the MRSDCI level with a 3-21G~* basis set.Our calculated geometries,excitation enegies and vibional frequencies for the X ~2B_1 and ~2A_1 states are in good agreement with available experimental data.The electronic transition dipole mo- ments,oscillator strengths for the ~2A_1→X ~2B_1 and ~2A_2→X ~2B_1 transitions,radiative lifetimes for the ~2A_1 and ~2A_2 states are calculated based on the MRSDC^1 wavefunctions,predicting results in reasonable agreement with available experiment.
文摘The completely unexplored LaP molecule is investigated by ab initio methods. Potential energy curves for the lowlying states of LaP are constructed by means of the diffusion Monte Carlo method combined with three different trial functions. Spectroscopic constants are also numerically derived and the ground state is assigned, looking forward to experimental comparisons. Moreover, variations of the permanent dipole moments as a function of the internuclear separation for the two lowest states of the diatomic LaP are studied and analyzed.
基金Underthe auspicesofthe Sino-Japan Cooperation Projectand the SpecialFund ofC hina M etrologicalA dm inistration(N o.C CSF-2005-2-Q H 39)
文摘Low-lying prairie wetland, which has characteristics of both grassland and wetland, has irreplaceable ecological functions in inland river basins of Northwest China. Owing to its small-scale distribution, so far, the observation and research on it are rare. The estimation of evapotranspiration is significant to ecological and environmental construction, scientific management of pasture and protection of wetland. For studying the evapotranspiration （ET） of low-lying prairie wetland in the middle reaches of the Heihe River, an inland river, in Northwest China, the automatic weather station in Linze Ecological Experimental Station of Lanzhou University （39°15′ 3″N, 100°03′ 52″ E）, Linze, Gansu Province, was selected as a case study. Based on meteorological data collected, Bowen-Ratio Energy Balance （BREB） method was used to calculate the evapotranspiration （ET） of low-lying prairie wetland. The analysis results showed that in a whole year （September 2003 -August 2004）, the total ET was 611.5mm and mean daily 1.67mm/d. The ET varied with different growing stages. In non-growing stage （NGS）, initial growing stage （IGS）, middle growing stage （MGS） and end growing stage （EGS）, the ET was 0.57, 2.01, 3.82 and 1.49mrrdd, with a percentage of total ET of 18.26%, 9.20%, 61.83% and 10.71% respectively. In March, ET began to increase. But in April, the ET increased most. After that, it increased gradually and got the maximal value in July. From then on, the ET decreased gradually. In September, the ET decreased rapidly. With the ending of growing and the freezing of soil, the ET stopped from the middle of November to February in next year. Hourly ET analysis showed that at 8：00 a.m. （during MGS at 7：00 a.m.）, the evapotranspiration began, at 13：00 p.m. got its maximal value and at 19：00 p.m. （during MGS at 20：00 p.m.）, the evapotranspiration stopped. The intensity of ET in sunny day was much larger than that in cloudy day in the same growing stage.
文摘Most of China's wetland areas are located in Sanjiang Plain (Three River Basin). It's area has 207×104 hm2 of wet and low-lying farmland, of which 59% is cropped. During 1970s and 1980s, the Chinese government organized intensive scientific research into potential changes to existing natural resources conditions for this farmland. The aim was to make the water resources regime beneficial to crop production. Arterial drainage, field drainage and appropriate sub-soil treatments were suggested. The Four Waters converting mechanism and the estimation of the Four Water converting amount in wet and low-lying farmland were discussed in the paper.
基金Supported by the National Key Research and Development Program of China (Grant No. 2017YFA0402300)the National Natural Science Foundation of China (Grant Nos. 11774344 and 11474033)。
文摘The transition energies, E1 transitional oscillator strengths of the spin-allowed as well as the spin-forbidden and the corresponding transition rates, and complete M1, E2, M2 forbidden transition rates for 1s^(2), 1s2s, and 1s2p states of He I, are investigated using the multi-configuration Dirac–Hartree–Fock method. In the subsequent relativistic configuration interaction computations, the Breit interaction and the QED effect are considered as perturbation, separately. Our transition energies, oscillator strengths, and transition rates are in good agreement with the experimental and other theoretical results. As a result, the QED effect is not important for helium atoms, however, the effect of the Breit interaction plays a significant role in the transition energies, the oscillator strengths and transition rates.
文摘Ab initio electronic structure calculations are reported for low-lying electronic states,X ~1Σ^+and A ~1Π of the N_2F^+ molecule.Geometric parameters for the ground state X ~1Σ^+ are predicted by means of mul- tireference single and double excitation configuration interaction(MRSDCI)calculations with a double zeta plus polarization(DZ+P)basis set.Vertical excitation energy for these two electronic states is determined using MRSDCI/DZ+P calculations at the ground state equilibrium geometry.The oscillator strength for the X^1Σ+→ A ~1Π transition and the radiative lifetime for the A^1Π state are calculated based on the MRSDCI wavefunc- tions.
基金Project supported by the National Natural Science Foundation of China the Special Research Foundation of Doctoral Education of China
文摘The ground state and three low-lying states of the H_(3)^(+)are determined by SOCI(Second Order Configuration Interaction)calculations.The results indicate that the^(3)Σ_(u)^(+)state of H_(3)^(+)3 is a bound state,but^(1)A_(1)and^(3)A_(1)states are not stable,each of them will dissociate into H_(2)^(+)and H atom.The SOCI energy-1.1144065au at an equidistant nuclear separation of 1.296A is in good agreement with the lowest value reported so far.
文摘Lifetime measurements of low-lying excited states in 87Zr and 87Nb have been performed via and coincidences. The 124 MeV 32S beam was delivered from the Sector-Focusing Cyclotron (SFC) of the Heavy Ion R-esearch Facility in Lanzhou (HIRFL). The parent nuclei 87Nb and 87Mo were produced by the respective reactions 58Ni (32S, 3p) and 58Ni (32S, 2p1n), at a beam energy 100 MeV through the 8 m Al degrader.
基金National Natural Science Foundation of China (11905130)。
文摘In this paper,we study low-lying states of odd-even N=79 isotones,including^(129)Sn,^(131)Te,^(133)Xe,^(135)Ba,and^(137)Ce,within the nucleon-pair approximation(NPA)of the shell model.Low-lying energy levels of these nuclei with both positive and negative parities,as well as B(E2)transition rates and g factors of some low-lying states,are calculated.Most of them agree closely with experimental data.The wave functions of yrast 1/2_(1)^(+),5/2_(1)^(+),7/2_(1)^(+),23/2_(1)^(+)states and negative parity 11/2_(1)^(-)~23/2_(1)^(-)and 27/22_(2)^(-)states of these nuclei are discussed in detail.The NPA calculations show that many of these states have a simple structure in the nucleon-pair basis.
基金Foundation of China for supporting this work (Grant No. 10975096)supported by the Science & Technology Program of Shanghai Maritime University (GrantNo. 20100086)the Major State Basic Research Developing Program of China (Grant No. 2007CB815000)
文摘We study the relevance of nucleon pairs with higher spins, in addition to spin-zero and spin-two pairs (i.e., S D pairs), in low-lying states of even-even Xe nuclei. By including those higher-spin pairs in our configuration, we recalculate energy level schemes, elec trical quadrupole moments, magnetic moments and electric quadrupole transition rates, for low-lying states of even-even 128-142Xe nuclei. The agreement between our calculated results and the experimental data is substantially improved in comparison with previous studies.
基金the National Basic Research Program of China(Grant No.2006CB601102)the National Natural Science Foundations of China(Grant Nos.20490210 and 20503001)
文摘The calculations on the potential energy curves and spectroscopic constants of the ground and low-lying excited states of BrCl^+, one of the important molecular ions in environment science, have been performed by using the multireference configuration interaction method at high level of theory in quantum chemistry. Through analyses of the effects of the spin-orbit coupling interaction on the electronic structures and spectroscopic properties, the multiconflguration characteristic of the X^2Π ground state and low-lying excited states was established. The spin-orbit coupling splitting energy of the X^2 Π ground state was calculated to be 1814 cm^(-1), close to the experimental value 2070 cm^(-1). The spin-orbit coupling splitting energy of the ~2Π(II) exited state was predicted to be 766 cm^(-1). The transition dipole moments and Frank-Condon factors of the 3/2(III)-X3/2 and 1/2(III)-1/2(I) transitions were estimated, and the radiative lifetimes of the two transitions were briefly discussed.
基金the National Natural Sci-ence Foundation of China under Grant No.10674114.
文摘Nine low-lying electronic states of the AsP molecule, including ∑＋, ∏, and A symmetries with singlet, triplet, and quintet spin multiplicities, are studied using multi-reference configuration interaction method. The potential energy curves and the spectroscopic constants of these nine states are determined, and compared with the experimental observed data as well as other theoretical works available at present. Three quintet states are reported for the first time. Furthermore, the analytical potential energy functions of these states are fitted using Murrell-Sorbie function and least sauare fitting method.
基金Supported by the National Natural Science Foundation of China(11975096,11875027,11775014)the Fundamental Research Funds for the Central Universities(2020NTST06)。
文摘We examined the low-lying quadrupole states in Sn isotopes in the framework of fully self-consistent Hartree-Fock+BCS plus QRPA.We focus on the effect of the density-dependence of pairing interaction on the properties of the low-lying quadrupole state.The SLy5 Skyrme interaction with surface,mixed,and volume pairings is employed in the calculations,respectively.We find that the excitation energies and the corresponding reduced electric transition probabilities of the first 2^(+) state are different,given by the three pairing interactions.The properties of the quasiparticle state,two-quasiparticle excitation energy,reduced transition amplitude,and transition densities in ^(112)Sn are analyzed in detail.Two different mechanisms,the static and dynamical effects,of the pairing correlation are also discussed.The results show that the surface,mixed,and volume pairings indeed affect the properties of the first 2^(+) state in the Sn isotopes.
基金Supported by Islamic Development Bank(36/11201905/35/IRQ/D31)the University of Malaya, Faculty of Sciencethe Department of Physics and the University of Kerbala,College of Science,Department of Physics, for supporting this work
文摘The energy levels, transition energy, B （E2） values,intrinsic quadrupole moment Q_0 and potential energy surface for even-even ^（184）W and ^（184）Os nuclei were calculated using IBM-1. The predicted energy levels, transition energy, B（E2） values and intrinsic quadrupole moment Q_0 results are reasonably consistent with the experimental data. A contour plot of the potential energy surfaces shows that two interesting nuclei are deformed and have rotational characters.
基金supported by the National Key R&D Program of China(Nos.2024YFE0109800 and 2024YFE0109802)the National Natural Science Foundation of China(Nos.12405141,12347106,12205340,and 12121005)+1 种基金the Gansu Natural Science Foundation(No.25JRRA467)the Key Research Program of the Chinese Academy of Sciences(No.XDPB15)。
文摘Neutron-rich boron,carbon,and nitrogen isotopes have garnered extensive experimental and theoretical interest.In the present work,we conducted a comprehensive study of these nuclei by utilizing ab initio valence-space in-medium similarity renormalization group calculations with chiral nucleon-nucleon and three-nucleon interactions.First,we systematically calculated the spectra of nuclei.Our results align well with the available experimental data,which are comparable to phenomenological shell model calculations.Subsequently,the evolution of the N=14 and N=16 shell gaps is discussed based on the calculated spectra and the effective single-particle energies.Our calculations suggest that the N=14 neutron subshell is present in the oxygen isotopes but disappears in the boron,carbon,and nitrogen isotopic chains.Moreover,the N=16 subshell is present in all isotopes but gradually decreases from^(24)O to^(21)B.These results provide valuable information for future studies.
基金supported by the National Natural Science Foundation of China(Nos.12175010,11375022,11775014)Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDB34010000)US Department of Energy Office of Science,Office of Nuclear Physics,under Award Number DE-AC05-00OR22725.
文摘Approaches for predicting low-lying resonances,uniformly treating bound,and resonant levels have been a long-standing goal in nuclear theory.Accordingly,we explored the viability of the complex momentum representation(CMR)approach coupled with new potentials.We focus on predicting the energy of the low-lying 2p_(3∕2)resonance in 17 O,which is critical for s-process nucleosynthesis and missing in previous theoretical research.Using a Woods-Saxon potential based on the Koning-Delaroche optical model and constrained by the experimental one-neutron separation energy,we successfully predicted the resonant energy of this level for the first time.Our predictions of the bound levels and 1d_(3∕2)resonance agree well with the measurement results.Additionally,we utilize this approach to study the near-threshold resonances that play a role when forming a two-neutron halo in^(29,31)F.We found that the CMR-based predictions of the bound-level energies and unbound 1f7∕2 level agree well with the results obtained using the scattering phase shift method.Subsequently,we successfully found a solution for the 2p_(3∕2)resonance with energy just above the threshold,which is decisive for halo formation.
基金the Natural Science Foundation of China(No.22175191)Y.C.thanks the financial support from CAS-Croucher Funding Scheme for Joint Laboratories and Beijing Municipal Science&Technology Commission(No.Z211100007921020).
文摘While nickel(II)complexes have been widely used as catalysts for carbon-carbon coupling reactions,the exploration of their photophysical and photochemical properties is still in the infancy.Here,a series of square-planar Ni(II)complexes[(diNHC)NiX2]bearing chelating benzimidazole-based bis(N-heterocyclic carbene)ligands and varying anionic coligands(1,X=Cl;2,X=Br;3,X=I)are synthesized and structurally characterized.In solid state,both 1 and 2 exhibit orange-red photoluminescence under ambient conditions.The photophysical and electrochemical measurements along with density functional theory(DFT)calculations reveal that the low-energy emissions can be attributed to singlet excited states with ligand-to-ligand charge-transfer(LLCT)character.This work suggests that strong-field N-heterocyclic carbene ligands play a crucial role to achieve the luminescence of Ni(II)complexes.
