In the paper,a class of functions with bounded turnings involving cardioid domain,are studied in the region of the unit disc.The bounds of|a_(5)|,|a_(6)|,|a_(7)|and the fourth Hankel determinant are obtained,which are...In the paper,a class of functions with bounded turnings involving cardioid domain,are studied in the region of the unit disc.The bounds of|a_(5)|,|a_(6)|,|a_(7)|and the fourth Hankel determinant are obtained,which are more accurate than those obtained by Srivastava.展开更多
For the new subclass B of the bi-univalent functions constructed with the help of the(u,v)-Chebyshev polynomials of the second type,we get estimates for the first two initial coefficients and upper bounds of the Feket...For the new subclass B of the bi-univalent functions constructed with the help of the(u,v)-Chebyshev polynomials of the second type,we get estimates for the first two initial coefficients and upper bounds of the Fekete-Szeg o functional.展开更多
By using a certain hybrid-type convolution operator,we first introduce a new subclass of normalized analytic functions in the open unit disk.For members of this analytic function class,we then derive several propertie...By using a certain hybrid-type convolution operator,we first introduce a new subclass of normalized analytic functions in the open unit disk.For members of this analytic function class,we then derive several properties and characteristics including(for example)the modified Hadamard products,Holder's inequalities and convolution properties as well as some closure properties under a general family of integral transforms.展开更多
The geometric structures of an Nit radical in different external electric fields are optimized by using the density functional B3P86/cc-PVSZ method, and the bond lengths, dipole moments, vibration frequencies and IR s...The geometric structures of an Nit radical in different external electric fields are optimized by using the density functional B3P86/cc-PVSZ method, and the bond lengths, dipole moments, vibration frequencies and IR spectrum are obtained. The potential energy curves are gained by the CCSD （T） method with the same basis set. These results indicate that the physical property parameters and potential energy curves may change with the external electric field, especially in the reverse direction electric field. The potential energy function of zero field is fitted by the Morse potential, and the fitting parameters are in good accordance with the experimental data. The potential energy functions of different external electric fields are fitted adopting the constructed potential model. The fitted critical dissociation electric parameters are shown to be consistent with the numerical calculation, and the relative errors are only 0.27% and 6.61%, hence the constructed model is reliable and accurate. The present results provide an important reference for further study of the molecular spectrum, dynamics and molecular cooling with Stark effect.展开更多
The symmetry-adapted-duster configuration-interaction method is used to investigate the spectroscopicproperties of ~7Li_2(A^1∑_u^+) over the internuclear distance ranging from 2.4ao to 37ao.The complete potential ene...The symmetry-adapted-duster configuration-interaction method is used to investigate the spectroscopicproperties of ~7Li_2(A^1∑_u^+) over the internuclear distance ranging from 2.4ao to 37ao.The complete potential energycurves are calculated at numbers of basis sets.All the ab initio calculated points are fitted to the analytic MurrellSorbie function and then employed to compute the spectroscopic constants.By comparison,the spectroscopic constantsreproduced by the potential attained at D95(3df,3pd) are found to be very close to the experiments,a^d the values (T_e,D_e,R_e,ω_e,ω_eχ_e,α_e and B_e) are of 1.732 93 eV,1.161 36 eV,0.313 27 nm,251.95 cm^(-1),1.623 cm^(-1),0.005 35 cm^(-1),and0.490 cm^(-1),respectively.With the potential obtained at D95(3df,3pd),the totally 75 vibrational states are found whenJ=0.The vibrational levels,the classical turning points and the inertial rotation constants of the first 68 vibrationalstates are calculated for the first time and compared with the available measurements.Good agreement is obtained.The centrifugal distortion constants of the first 32 vibrational states are also reported for the first time.The reasonabledissociation limit for ~7Li_2(A^1∑_u^+) is deduced using the calculated results at present.展开更多
The potential energy curves（PECs） of the first electronic excited state of S2（a^1△g） are calculated employing a multi-reference configuration interaction method with the Davidson correction in combination with a ...The potential energy curves（PECs） of the first electronic excited state of S2（a^1△g） are calculated employing a multi-reference configuration interaction method with the Davidson correction in combination with a series of correlationconsistent basis sets from Dunning： aug-cc-p VX Z（X = T, Q, 5, 6）. In order to obtain PECs with high accuracy, PECs calculated with aug-cc-p V（Q, 5）Z basis sets are extrapolated to the complete basis set limit. The resulting PECs are then fitted to the analytical potential energy function（APEF） using the extended Hartree–Fock approximate correlation energy method. By utilizing the fitted APEF, accurate and reliable spectroscopic parameters are obtained, which are consistent with both experimental and theoretical results. By solving the Schr o¨dinger equation numerically with the APEFs obtained at the AV6 Z and the extrapolated AV（Q, 5）Z level of theory, we calculate the complete set of vibrational levels, classical turning points, inertial rotation and centrifugal distortion constants.展开更多
In this paper the equilibrium structure of HCO has been optimized by using density functional theory （DFT）/ B3P86 method and CC-PVTZ basis. It has a bent （Cs, X^2A＇） ground state structure with an angle of 124.40...In this paper the equilibrium structure of HCO has been optimized by using density functional theory （DFT）/ B3P86 method and CC-PVTZ basis. It has a bent （Cs, X^2A＇） ground state structure with an angle of 124.4095 °. The vibronic frequencies and force constants have also been calculated. Based on the principles of atomic and molecular reaction statics, the possible electronic states and reasonable dissociation limits for the ground state of HCO molecule have been determined. The analytic potential energy function of HCO （X^2A＇） molecule has been derived by using the many-body expansion theory. The contour lines are constructed, which show the static properties of HCO （X^2A＇）, such as the equilibrium structure, the lowest energies, etc. The potential energy surface of HCO （X^2A＇） is reasonable and very satisfactory.展开更多
The multi-reference configuration interaction method and aug-cc-pvqz （AVQZ） have been used to calculate potential energy curves （PECs） of the singlet and triplet states of the riu and rig symmetry of B2＋＋. All o...The multi-reference configuration interaction method and aug-cc-pvqz （AVQZ） have been used to calculate potential energy curves （PECs） of the singlet and triplet states of the riu and rig symmetry of B2＋＋. All of the four states （^l∏u, ^1∏g, ^3∏u and ^3∏g） are found to be metastable states, though the potential well of ^3∏u symmetry is very shallow. Based on the PECs, the analytical potential energy functions （APEFs） of these states have been fitted using the least square fitting method and two models of function. The spectroscopic parameters of each state are also calculated, and are compared with other investigations in the literature. The credibility and veracity of the two functions are evaluated. Some ideas to improve the fitting accuracy are presented. Also the vibrational levels for each state are predicted by solving the SchrSdinger equation of nuclear motion.展开更多
This paper reports that the equilibrium structure of NH2 has been optimized at the QCISD/6-311＋＋G （3df, 3pd） level. The ground-state NH2 has a bent （C2v, X^2B1） structure with an angle of 103.0582°. The geo...This paper reports that the equilibrium structure of NH2 has been optimized at the QCISD/6-311＋＋G （3df, 3pd） level. The ground-state NH2 has a bent （C2v, X^2B1） structure with an angle of 103.0582°. The geometrical structure is in good agreement with the other calculational and experimental results. The harmonic frequencies and the force constants have also been calculated. Based on the group theory and the principle of microscopic reversibility, the dissociation limits of NH2（C2v, X^2B1） have been derived. The potential energy surface of NH2（X^2B1） is reasonable. The contour lines are constructed, the structure and energy of NH2 reappear on the potential energy surface.展开更多
The equilibrium structure of flue gas SO2 is optimized using the density functional theory （DFT）/B3P86 method and CC-PV5Z basis. The result shows that it has a bent （C2v, X1A1） ground state structure with an angle...The equilibrium structure of flue gas SO2 is optimized using the density functional theory （DFT）/B3P86 method and CC-PV5Z basis. The result shows that it has a bent （C2v, X1A1） ground state structure with an angle of 119.1184°. The vibronic frequencies and the force constants are also calculated. Based on the principles of atomic and molecular reaction statics （AMIIS）, the possible electronic states and reasonable dissociation limits for the ground state of SO2 molecule are determined. The potential functions of SO and 02 are fitted by the modified Murrell-Sorbie＋c6 （M-S＋c6） potential function and the fitted parameters, the force constants and the spectroscopic constants are obtained, which are all close to the experimental values. The analytic potential energy function of the SO2 （X1A1） molecule is derived using the many-body expansion theory. The contour liues are constructed, which show the static properties of SO2 （XIA1）, such as the equilibrium structure, the lowest energies, the most possible reaction channel, etc.展开更多
In this paper,we introduce and investigate certain subclass of analytic and univalent functions involving q-differintegral operator.For this function class,we give the bound estimates of the coefficients a2 and a3 and...In this paper,we introduce and investigate certain subclass of analytic and univalent functions involving q-differintegral operator.For this function class,we give the bound estimates of the coefficients a2 and a3 and some Fekete-Szegöfunctional inequalities.Besides,we also estimate the corresponding symmetric Toeplitz determinants.Furthermore,we point out some consequences and connections to these results above.展开更多
A kinematically admissible velocity field which is different from Avitzur's is established in Cartesian Coordinates. An upper-bound analytical solution to strip drawing andextrusion is obtained by using the integr...A kinematically admissible velocity field which is different from Avitzur's is established in Cartesian Coordinates. An upper-bound analytical solution to strip drawing andextrusion is obtained by using the integral as a function of the upper limit in this paper.展开更多
Let A be the class of functions f(z)=z+sum from n=2 to ∞ (a_nZ^n) which are analytic in the unit disc, and let In this paper, Some properties of Q_α(β) and R_α(β) are investigated. In particular, Some results due...Let A be the class of functions f(z)=z+sum from n=2 to ∞ (a_nZ^n) which are analytic in the unit disc, and let In this paper, Some properties of Q_α(β) and R_α(β) are investigated. In particular, Some results due to chichra [4], Mocanu[5] and Obradovic[6] are extended. In addition, We also showed an error of S. Owa[8].展开更多
In this paper, we introduce new subclasses Sp,q,^mj,l λ[A,B;γ]and Hp,q,λ^m,j,l（α,β）of certain p-valent analytic functions defined by a generalized differential operator. Majorizationproperties for functions bel...In this paper, we introduce new subclasses Sp,q,^mj,l λ[A,B;γ]and Hp,q,λ^m,j,l（α,β）of certain p-valent analytic functions defined by a generalized differential operator. Majorizationproperties for functions belonging to the classes Sp,q,^mj,l λ[A,B;γ]and Hp,q,λ^m,j,l（α,β）are investigated. Also, we point out some new or known consequences of our main results.展开更多
We obtain several estimates of the essential norms of the products of differen- tiation operators and weighted composition operators between weighted Banach spaces of analytic functions with general weights. As applic...We obtain several estimates of the essential norms of the products of differen- tiation operators and weighted composition operators between weighted Banach spaces of analytic functions with general weights. As applications, we also give estimates of the es- sential norms of weighted composition operators between weighted Banach space of analytic functions and Bloch-type spaces.展开更多
In this paper, we introduce several new subclasses of the function class Σ of bi-univalent functions analytic in the open unit disc defined by convolution.Furthermore, we investigate the bounds of the coefficients |a...In this paper, we introduce several new subclasses of the function class Σ of bi-univalent functions analytic in the open unit disc defined by convolution.Furthermore, we investigate the bounds of the coefficients |a2| and |a3| for functions in these new subclasses. The results presented in this paper improve or generalize the recent works of other authors.展开更多
In this paper we introduce new classes of analytic functions with fixed argument of coefficients defined by subordination. Coefficient estimates, distortion theorems, integral means inequalities, and the radii of conv...In this paper we introduce new classes of analytic functions with fixed argument of coefficients defined by subordination. Coefficient estimates, distortion theorems, integral means inequalities, and the radii of convexity and starlikeness are investigated. Convolution properties are also pointed out.展开更多
In this paper we derive certain sufficient conditions for starlikeness and convexity of order α of meromorphically multivalent functions in the punctured unit disk.
In the present investigation, we consider two new general subclasses B∑m（T, λ; α）and B^∑m （τ λ;β） of Em consisting of analytic and m-fold symmetric bi-univalent functions in the open unit disk U. For functi...In the present investigation, we consider two new general subclasses B∑m（T, λ; α）and B^∑m （τ λ;β） of Em consisting of analytic and m-fold symmetric bi-univalent functions in the open unit disk U. For functions belonging to the two classes introduced here, we derive non-sharp estimates on the initial coefficients [a-~＋ll and │a2＋1│. Several connections to some of the earlier known results are also pointed out.展开更多
In this paper, we have investigated second Hankel determinants and FeketeSzeg? inequalities for some subclasses of Bi-univalent functions with respect to symmetric and Conjugate points which are subordinate to a shell...In this paper, we have investigated second Hankel determinants and FeketeSzeg? inequalities for some subclasses of Bi-univalent functions with respect to symmetric and Conjugate points which are subordinate to a shell shaped region in the open unit disc ?.展开更多
基金Supported by the Natural Science Foundation of Anhui Provincial Department of Education(Grant Nos.KJ2020A 0993KJ2020ZD74)+2 种基金the High-Level Talent Research Start-Up Project(Grant No.DC2300000286)the Foundation of Guangzhou Civil Aviation College(Grant Nos.22X041824X4412).
文摘In the paper,a class of functions with bounded turnings involving cardioid domain,are studied in the region of the unit disc.The bounds of|a_(5)|,|a_(6)|,|a_(7)|and the fourth Hankel determinant are obtained,which are more accurate than those obtained by Srivastava.
文摘For the new subclass B of the bi-univalent functions constructed with the help of the(u,v)-Chebyshev polynomials of the second type,we get estimates for the first two initial coefficients and upper bounds of the Fekete-Szeg o functional.
文摘By using a certain hybrid-type convolution operator,we first introduce a new subclass of normalized analytic functions in the open unit disk.For members of this analytic function class,we then derive several properties and characteristics including(for example)the modified Hadamard products,Holder's inequalities and convolution properties as well as some closure properties under a general family of integral transforms.
基金Supported by the National Natural Science Foundation of China under Grant Nos 11147158 and 11264020the Jiangxi Province Natural Science Foundation under Grant No 2010GQW0031the Jiangxi Province Scientific Research Program of the Education Bureau under Grant No GJJ12483
文摘The geometric structures of an Nit radical in different external electric fields are optimized by using the density functional B3P86/cc-PVSZ method, and the bond lengths, dipole moments, vibration frequencies and IR spectrum are obtained. The potential energy curves are gained by the CCSD （T） method with the same basis set. These results indicate that the physical property parameters and potential energy curves may change with the external electric field, especially in the reverse direction electric field. The potential energy function of zero field is fitted by the Morse potential, and the fitting parameters are in good accordance with the experimental data. The potential energy functions of different external electric fields are fitted adopting the constructed potential model. The fitted critical dissociation electric parameters are shown to be consistent with the numerical calculation, and the relative errors are only 0.27% and 6.61%, hence the constructed model is reliable and accurate. The present results provide an important reference for further study of the molecular spectrum, dynamics and molecular cooling with Stark effect.
基金The project supported by National Natural Science Foundation of China under Grant Nos.10574039 and 10174019
文摘The symmetry-adapted-duster configuration-interaction method is used to investigate the spectroscopicproperties of ~7Li_2(A^1∑_u^+) over the internuclear distance ranging from 2.4ao to 37ao.The complete potential energycurves are calculated at numbers of basis sets.All the ab initio calculated points are fitted to the analytic MurrellSorbie function and then employed to compute the spectroscopic constants.By comparison,the spectroscopic constantsreproduced by the potential attained at D95(3df,3pd) are found to be very close to the experiments,a^d the values (T_e,D_e,R_e,ω_e,ω_eχ_e,α_e and B_e) are of 1.732 93 eV,1.161 36 eV,0.313 27 nm,251.95 cm^(-1),1.623 cm^(-1),0.005 35 cm^(-1),and0.490 cm^(-1),respectively.With the potential obtained at D95(3df,3pd),the totally 75 vibrational states are found whenJ=0.The vibrational levels,the classical turning points and the inertial rotation constants of the first 68 vibrationalstates are calculated for the first time and compared with the available measurements.Good agreement is obtained.The centrifugal distortion constants of the first 32 vibrational states are also reported for the first time.The reasonabledissociation limit for ~7Li_2(A^1∑_u^+) is deduced using the calculated results at present.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11304185 and 11074151)
文摘The potential energy curves（PECs） of the first electronic excited state of S2（a^1△g） are calculated employing a multi-reference configuration interaction method with the Davidson correction in combination with a series of correlationconsistent basis sets from Dunning： aug-cc-p VX Z（X = T, Q, 5, 6）. In order to obtain PECs with high accuracy, PECs calculated with aug-cc-p V（Q, 5）Z basis sets are extrapolated to the complete basis set limit. The resulting PECs are then fitted to the analytical potential energy function（APEF） using the extended Hartree–Fock approximate correlation energy method. By utilizing the fitted APEF, accurate and reliable spectroscopic parameters are obtained, which are consistent with both experimental and theoretical results. By solving the Schr o¨dinger equation numerically with the APEFs obtained at the AV6 Z and the extrapolated AV（Q, 5）Z level of theory, we calculate the complete set of vibrational levels, classical turning points, inertial rotation and centrifugal distortion constants.
基金Project supported by the National Natural Science Foundation of China and CAEP （Grant No 10676025）, by the scientific project of Jiangxi education departments of China （Grant Nos 2006261 and 2006236）, and by the Research Funds of College of Jinggangshan, China （Grant No JZ0616）.
文摘In this paper the equilibrium structure of HCO has been optimized by using density functional theory （DFT）/ B3P86 method and CC-PVTZ basis. It has a bent （Cs, X^2A＇） ground state structure with an angle of 124.4095 °. The vibronic frequencies and force constants have also been calculated. Based on the principles of atomic and molecular reaction statics, the possible electronic states and reasonable dissociation limits for the ground state of HCO molecule have been determined. The analytic potential energy function of HCO （X^2A＇） molecule has been derived by using the many-body expansion theory. The contour lines are constructed, which show the static properties of HCO （X^2A＇）, such as the equilibrium structure, the lowest energies, etc. The potential energy surface of HCO （X^2A＇） is reasonable and very satisfactory.
文摘The multi-reference configuration interaction method and aug-cc-pvqz （AVQZ） have been used to calculate potential energy curves （PECs） of the singlet and triplet states of the riu and rig symmetry of B2＋＋. All of the four states （^l∏u, ^1∏g, ^3∏u and ^3∏g） are found to be metastable states, though the potential well of ^3∏u symmetry is very shallow. Based on the PECs, the analytical potential energy functions （APEFs） of these states have been fitted using the least square fitting method and two models of function. The spectroscopic parameters of each state are also calculated, and are compared with other investigations in the literature. The credibility and veracity of the two functions are evaluated. Some ideas to improve the fitting accuracy are presented. Also the vibrational levels for each state are predicted by solving the SchrSdinger equation of nuclear motion.
基金Project supported by the National Natural Science Foundation of China (Grant Nos 10574039 and 10174019)Henan Innovation Project For University Prominent Research Talents (Grant No HAIPUTT2006KYCX002)the Natural Science Foundation of Education Commission of Henan Province (Grant Nos 2003140028 and 200510476004)
文摘This paper reports that the equilibrium structure of NH2 has been optimized at the QCISD/6-311＋＋G （3df, 3pd） level. The ground-state NH2 has a bent （C2v, X^2B1） structure with an angle of 103.0582°. The geometrical structure is in good agreement with the other calculational and experimental results. The harmonic frequencies and the force constants have also been calculated. Based on the group theory and the principle of microscopic reversibility, the dissociation limits of NH2（C2v, X^2B1） have been derived. The potential energy surface of NH2（X^2B1） is reasonable. The contour lines are constructed, the structure and energy of NH2 reappear on the potential energy surface.
基金supported by the National Natural Science Foundation of China (Grant Nos. 11147158 and 10965002)the Natural Science Foundation of Jiangxi Province, China (Grant No. 2010GQW0031)the Scientific Project of Jiangxi Education Department, China (Grant No. GJJ11540)
文摘The equilibrium structure of flue gas SO2 is optimized using the density functional theory （DFT）/B3P86 method and CC-PV5Z basis. The result shows that it has a bent （C2v, X1A1） ground state structure with an angle of 119.1184°. The vibronic frequencies and the force constants are also calculated. Based on the principles of atomic and molecular reaction statics （AMIIS）, the possible electronic states and reasonable dissociation limits for the ground state of SO2 molecule are determined. The potential functions of SO and 02 are fitted by the modified Murrell-Sorbie＋c6 （M-S＋c6） potential function and the fitted parameters, the force constants and the spectroscopic constants are obtained, which are all close to the experimental values. The analytic potential energy function of the SO2 （X1A1） molecule is derived using the many-body expansion theory. The contour liues are constructed, which show the static properties of SO2 （XIA1）, such as the equilibrium structure, the lowest energies, the most possible reaction channel, etc.
基金Supported by Natural Science Foundation of Ningxia(Grant No.2023AAC03001)Natural Science Foundation of China(Grant No.12261068).
文摘In this paper,we introduce and investigate certain subclass of analytic and univalent functions involving q-differintegral operator.For this function class,we give the bound estimates of the coefficients a2 and a3 and some Fekete-Szegöfunctional inequalities.Besides,we also estimate the corresponding symmetric Toeplitz determinants.Furthermore,we point out some consequences and connections to these results above.
文摘A kinematically admissible velocity field which is different from Avitzur's is established in Cartesian Coordinates. An upper-bound analytical solution to strip drawing andextrusion is obtained by using the integral as a function of the upper limit in this paper.
文摘Let A be the class of functions f(z)=z+sum from n=2 to ∞ (a_nZ^n) which are analytic in the unit disc, and let In this paper, Some properties of Q_α(β) and R_α(β) are investigated. In particular, Some results due to chichra [4], Mocanu[5] and Obradovic[6] are extended. In addition, We also showed an error of S. Owa[8].
基金Supported by the National Natural Science Foundation of China(Grant No.11271045)the Funds of Doctoral Programme of China(Grant No.20100003110004)the Natural Science Foundation of Inner Mongolia Province(Grant No.2010MS0117)
文摘In this paper, we introduce new subclasses Sp,q,^mj,l λ[A,B;γ]and Hp,q,λ^m,j,l（α,β）of certain p-valent analytic functions defined by a generalized differential operator. Majorizationproperties for functions belonging to the classes Sp,q,^mj,l λ[A,B;γ]and Hp,q,λ^m,j,l（α,β）are investigated. Also, we point out some new or known consequences of our main results.
文摘We obtain several estimates of the essential norms of the products of differen- tiation operators and weighted composition operators between weighted Banach spaces of analytic functions with general weights. As applications, we also give estimates of the es- sential norms of weighted composition operators between weighted Banach space of analytic functions and Bloch-type spaces.
基金The NSF(KJ2015A372) of Anhui Provincial Department of Education
文摘In this paper, we introduce several new subclasses of the function class Σ of bi-univalent functions analytic in the open unit disc defined by convolution.Furthermore, we investigate the bounds of the coefficients |a2| and |a3| for functions in these new subclasses. The results presented in this paper improve or generalize the recent works of other authors.
文摘In this paper we introduce new classes of analytic functions with fixed argument of coefficients defined by subordination. Coefficient estimates, distortion theorems, integral means inequalities, and the radii of convexity and starlikeness are investigated. Convolution properties are also pointed out.
文摘In this paper we derive certain sufficient conditions for starlikeness and convexity of order α of meromorphically multivalent functions in the punctured unit disk.
文摘In the present investigation, we consider two new general subclasses B∑m（T, λ; α）and B^∑m （τ λ;β） of Em consisting of analytic and m-fold symmetric bi-univalent functions in the open unit disk U. For functions belonging to the two classes introduced here, we derive non-sharp estimates on the initial coefficients [a-~＋ll and │a2＋1│. Several connections to some of the earlier known results are also pointed out.
文摘In this paper, we have investigated second Hankel determinants and FeketeSzeg? inequalities for some subclasses of Bi-univalent functions with respect to symmetric and Conjugate points which are subordinate to a shell shaped region in the open unit disc ?.
