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Accurate calculations of the helium atom in magnetic fields
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作者 赵继军 王晓峰 乔豪学 《Chinese Physics B》 SCIE EI CAS CSCD 2010年第11期256-263,共8页
The 1^10^+ 1^1(-1)^+and 1^1(2)^+ states of the helium atom in the magnetic field regime between 0 and 100 a.u. are studied using a full configuration-interaction (CI) approach. The total energies, derivatives... The 1^10^+ 1^1(-1)^+and 1^1(2)^+ states of the helium atom in the magnetic field regime between 0 and 100 a.u. are studied using a full configuration-interaction (CI) approach. The total energies, derivatives of the total energy with respect to the magnetic field and ionisation energies are calculated with Hylleraas-like functions in spherical coordinates in low to intermediate fields and Hylleraas Caussian functions in cylindrical coordinates in intermediate to high fields, respectively. In intermediate fields, the total energies and ionisation energies are determined in terms of Hermite interpolation, based on the results obtained with the two above-mentioned basis functions. Calculations show that the current method can produce lower total energies and larger ionisation energies, and make the two ionisation energy curves obtained with the two above-mentioned basis functions join smoothly in intermediate fields. Comparisons are also made with previous works. 展开更多
关键词 strong magnetic field helium atom total energy ionisation energy
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Exact Radial Solution of the Non-relativistic Schrdinger Equation for the Helium Atom with the Potential Harmonic Method
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作者 WANG Yi-xuan BU Yu-xiang LIU Cheng-bu 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2000年第3期213-217,共5页
We proposed a simple potential harmonic(PH) scheme for calculating the non\|relativistic radial correlation energies of atomic systems. The scheme was applied to the low\|lying \%n\%\+1\%S\%(\%n\%=1,2) and \%n\%\+3\%... We proposed a simple potential harmonic(PH) scheme for calculating the non\|relativistic radial correlation energies of atomic systems. The scheme was applied to the low\|lying \%n\%\+1\%S\%(\%n\%=1,2) and \%n\%\+3\%S\%(\%n\%=2,3) states of the helium atom. The results exhibit a very stable convergence characterization in both the angular and radial directions with PH and generalized Laguerre functions(GLF) respectively, even though the method is non\|variational one. The ninth significant figure of the non\|relativistic radial energy(NRE) calculated for the ground state exactly agrees with that of the most accurate literature data from the modified configuration interaction method. The convergent NRE′s for the excited states 2\+1\%S\%, 2\+3\%S\% and 3\+3\%S\% with the similar accuracy were also obtained. 展开更多
关键词 Potential harmonic Radial limit Schrdinger equation helium atom
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Performance of Hyperspherical Harmonic Expansionon the Low-lying P and D States of Helium Atom
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作者 WANG Yi-xuan, ZHUANG Bing-you and LIU Cheng-bu (School of Chemistry, Shandong University, Jinan 250100, China) (Department of Chemistry, Weifang College, Weifang 261043, China) 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2000年第4期351-355,共5页
The wave functions of the n1,3p (n=2, 3, 4) and the n 1,3D (n=3, 4, 5 ) low-lying states of the helium atom are expanded into the complete sets of the symmetrically adapted basis functions from hyperspherical harmonic... The wave functions of the n1,3p (n=2, 3, 4) and the n 1,3D (n=3, 4, 5 ) low-lying states of the helium atom are expanded into the complete sets of the symmetrically adapted basis functions from hyperspherical harmonic functions in the angle part and of generalized Laguerre functions in the radial part respectively, and are then augmented by the simplest type of Jastrow correlation factor to incorporate electron-nucleus cusp only. The excellent agreement between the present nonrelativistic eigen-energies and those from the sophisticated configuration interaction (CI) method for the examined states indicates that the hyperspherical harmonic method can also be applied to the P and the D excited states of the helium atom. 展开更多
关键词 Hyperspherical coordinate helium atom Excited state
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Electronic Structure of Helium Atom in a Quantum Dot
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作者 Jayanta K.Saha S.Bhattacharyya T.K.Mukherjee 《Communications in Theoretical Physics》 SCIE CAS CSCD 2016年第3期347-353,共7页
Bound and resonance states of helium atom have been investigated inside a quantum dot by using explicitly correlated Hylleraas type basis set within the framework of stabilization method.To be specific,precise energy ... Bound and resonance states of helium atom have been investigated inside a quantum dot by using explicitly correlated Hylleraas type basis set within the framework of stabilization method.To be specific,precise energy eigenvalues of bound 1sns(~1S^e)(n=1-6)states and the resonance parameters i.e.positions and widths of^lS^e states due to 2sns(n=2-5)and 2pnp(n=2-5)configurations of confined helium below N=2 ionization threshold of He^+have been estimated.The two-parameter(Depth and Width)finite oscillator potential is used to represent the confining potential due to the quantum dot.It has been explicitly demonstrated that the electronic structural properties become sensitive functions of the dot size.It is observed from the calculations of ionization potential that the stability of an impurity ion within a quantum dot may be manipulated by varying the confinement parameters.A possibility of controlling the autoionization lifetime of doubly excited states of two-electron ions by tuning the width of the quantum cavity is also discussed here. 展开更多
关键词 helium atom variational method quantum dot CORRELATION
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Four-Parameter Scheme for Ground Level of Helium Atom
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作者 HU Xian-Quan XU Jie +1 位作者 MA Yong ZHENG Rui-Lun 《Communications in Theoretical Physics》 SCIE CAS CSCD 2006年第5期906-910,共5页
In this paper,the ground state wave function of four parameters is developed and expression of the ground state level is derived for the helium atom when the radial Schrodinger equation of the helium atom is solved. T... In this paper,the ground state wave function of four parameters is developed and expression of the ground state level is derived for the helium atom when the radial Schrodinger equation of the helium atom is solved. The ground energy is respectively computed by the optimized aJgorithms of Matlab 7.0 and the Monte Carlo methods. Furthermore, the ground state wave function is obtained. Compared with the experiment value and the value with the variation calculus in reference, the results of this paper show that in the four-parameter scheme, not only the calculations become more simplified and precise, but also the radial wave function of the helium atom meets the space symmetry automatically in ground state. 展开更多
关键词 helium atom ground state level variation calculus wave function
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Laser-assisted XUV double ionization of helium atoms:Intensity dependence of joint angular distributions
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作者 Fengzheng Zhu Genliang Li Aihua Liu 《Chinese Physics B》 SCIE EI CAS CSCD 2020年第7期281-285,共5页
We investigate the intensity effect of ultrashort assisting infrared laser pulse on the single-XUV-photon double ionization of helium atoms by solving full six-dimensional time-dependent Schrodinger equation with impl... We investigate the intensity effect of ultrashort assisting infrared laser pulse on the single-XUV-photon double ionization of helium atoms by solving full six-dimensional time-dependent Schrodinger equation with implement of finite element discrete variable representation.The studies of joint energy distributions and joint angular distributions of the two photoelectrons reveal the competition for ionized probabilities between the photoelectrons with odd parity and photoelectrons with even parity in single-XUV-photon double ionization process in the presence of weak infrared laser field,and such a competition can be modulated by changing the intensity of the weak assisting-IR laser pulses.The emission angles of the two photoelectrons can be adjusted by changing the laser parameters as well.We depict how the assisting-IR laser field enhances and/or enables the back-to-back and side-by-side emission of photoelectrons created in double ionization process. 展开更多
关键词 laser-assisted double photoionization helium atom angular distribution
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A Helium Atom Confined by a Spherical Gaussian Potential Well
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作者 XIE Wen-Fang 《Communications in Theoretical Physics》 SCIE CAS CSCD 2008年第5期1287-1290,共4页
The helium atom confined by a non-impenetrable spherical box, i.e., a spherical Gaussian potential well which possesses finite height and range, is studied employing the exact diagonalization method. Total energies of... The helium atom confined by a non-impenetrable spherical box, i.e., a spherical Gaussian potential well which possesses finite height and range, is studied employing the exact diagonalization method. Total energies of the ground and three low-excited states are obtained as a function of the confined potential radii. We find that the confinement may cause accidental degeneracies between levels with different low-excited states and the inversion of the energy values. The results for the three-dimensional spherical potential well and the two-dimensional disc-like potential well are compared with each other: in general, the energies of the states decrease and the energy intervals between states increase with the reduction of the space dimensions. 展开更多
关键词 helium atom energy spectrum
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A Study of Confined Helium Atom
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作者 XIE Wen-Fang 《Communications in Theoretical Physics》 SCIE CAS CSCD 2007年第2X期331-334,共4页
The helium atom confined by a spherical parabolic potential well is studied employing the adiabatic hyperspherical approach method. Total energies of the ground and three low-excited states are obtained as a function ... The helium atom confined by a spherical parabolic potential well is studied employing the adiabatic hyperspherical approach method. Total energies of the ground and three low-excited states are obtained as a function of the confined potential radii. We find that the energies of a spherical parabolic potential well are in good agreement with those of an impenetrable spherical box for the larger confined potential radius. We find also that the confinement may cause accidental degeneracies between levels with different low-excited states and the inversion of the energy values. The results for the three-dimensional spherical potential well and the two-dimensional disc-like potential well are compared with each other. We find that the energy difference between states in a two-dimensional parabolic potential is also obviously larger than the corresponding levels for a spherical parabolic potential. 展开更多
关键词 helium atom energy spectrum
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The Zeeman effect for helium atom 被引量:1
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作者 WANGZhi-wen GUANXiao-xu 《原子与分子物理学报》 CAS CSCD 北大核心 2002年第2期143-147,共5页
The g-factors of the 2 3P, 2 1P, and 3 3P states of the helium atom are calculated by using the vatiational wave functions constructed from the linear combinations of Slater-type basis sets. The relativistic correctio... The g-factors of the 2 3P, 2 1P, and 3 3P states of the helium atom are calculated by using the vatiational wave functions constructed from the linear combinations of Slater-type basis sets. The relativistic corrections to order α 2(a.u.) and the effect of the motion of the center of mass are treated by using first-order perturbation theory. Most of our predicted results are in good agreement with recent results of Yan and Drake, which were obtained by using the wave functions with doubled Hylleraas coordinates. Based on the analysis of the convergence pattern in our calculation, we believe that our predicted value of the δg L-factor for 3 3P state in 4He, 2.914 15×10 -7 , ought to be reasonable and accurate, although there are no corresponding experimental data available in the liteature yet to be compared with. 展开更多
关键词 受激拉曼散射 塞曼效应 相对论 氦原子 光学性质
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Diffusion behaviors of helium atoms at two Pd grain boundaries
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作者 夏吉星 胡望宇 +1 位作者 杨剑瑜 敖冰云 《中国有色金属学会会刊:英文版》 CSCD 2006年第B02期804-807,共4页
The diffusion behaviors of helium atoms at two symmetric grain boundaries (Σ5<001>{210} andΣ3<110> {112}) of Pd were investigated using molecular dynamics simulations through an analytical embedded-atom ... The diffusion behaviors of helium atoms at two symmetric grain boundaries (Σ5<001>{210} andΣ3<110> {112}) of Pd were investigated using molecular dynamics simulations through an analytical embedded-atom method(MAEAM) model. The simulations demonstrate that the interstitial helium atoms are easily trapped at the grain boundaries and precipitated into clusters. Due to the closed-shell electronic configurations of both helium and palladium, Pd grain boundaries yield strong capability of retaining helium atoms. By calculating the mean square displacements(MSD) of an interstitial helium atom at the grain boundaries, the diffusion coefficients were determined, and the linear fits to Arrhenius relation. The diffusion activation energies of interstitial helium atom at these two Pd grain boundaries were also evaluated. 展开更多
关键词 晶界 氦原子 扩散行为 分子动力学 张力 蠕变
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The density distribution and 58.4 nm radiation intensity of interstellar helium in the heliosphere:a model simulation
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作者 JiaLing Lyu ChongJing Yuan +1 位作者 Fei He BeiLi Ying 《Earth and Planetary Physics》 2025年第6期1113-1124,共12页
Research on the interstellar medium and its interaction with the solar system constitutes a significant topic in planetary physics.As the Sun traverses the local interstellar cloud,interstellar neutrals penetrate the ... Research on the interstellar medium and its interaction with the solar system constitutes a significant topic in planetary physics.As the Sun traverses the local interstellar cloud,interstellar neutrals penetrate the heliosphere,forming the interstellar wind,and scattering solar extreme ultraviolet(EUV)emission lines.The intensity of the scattered radiation provides an indicator of the characteristic parameters of the interstellar wind,crucial for characterizing the heliosphere,the interstellar medium,and the evolution of the solar system.Meanwhile,a powerful method for studying stellar evolution is investigating the EUV emissions of stars.The only ongoing mission conducting an EUV full-sky survey is the relay satellite Queqiao-2.Due to the strong absorption of the interstellar medium at EUV wavelengths,modelling is essential to any study of these influences.In this study,we reviewed classical modelling methods for the density distribution of the interstellar helium atoms in the heliosphere,and the corresponding 58.4 nm radiation intensity.We established distinct density and intensity models for different orbital positions of Earth’s revolution.We found that when the Earth enters the helium focusing cone in the downwind region,both the helium density and the 58.4 nm radiation intensity increase rapidly,with the temperature effect being particularly important.The radiation intensity in the downwind direction can be 170 times that of the upwind direction.Some negligible factors were omitted for simplicity,such as the effects of the solar line width and Doppler shift.Our research can serve as an aid to the interpretation of the EUV observations in the full-sky survey conducted by Queqiao-2. 展开更多
关键词 Interstellar wind HELIOSPHERE interstellar helium atoms resonantly scattered radiation
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The eigenenergies for ~3S excited states of the helium atom with CFPHGLF method
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作者 WANG, Yi-Xuan DENG, Cong-HaoInstitute of Theoretical Chemistry, Shandong University, Jinan, Shandong 250100, China 《Chinese Journal of Chemistry》 SCIE CAS CSCD 1997年第1期13-16,共4页
The matrix elements of the correlation function between symmetric potential harmonics were first simplified into the analytical summation of the grand angular momentum. The correlation-function potential-harmonic and ... The matrix elements of the correlation function between symmetric potential harmonics were first simplified into the analytical summation of the grand angular momentum. The correlation-function potential-harmonic and generalized Laguerre function method (CFPHGLF) proposed by us recently was then applied to directly solve the Schrodinger equation for n3S(n=2-5) excited states of the helium atom. With only 12 PHs, the convergent eigenenergies of 23S, 33S, 43S and 53S states were 2.17427, 2.06849, 2.03644, 2.02257 Eh, respectively. The errors only were 0.00096, 0.00020, 0.00007, 0.00005 Eh, when compared with the exact Hylleraas variational results respectively. 展开更多
关键词 Hyperspherical coordinates potential harmonics helium atom
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Convergence patterns of hyperspherical harmonicexpansion——Sstates of the helium atom
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《Chinese Science Bulletin》 SCIE CAS 1998年第8期701-702,共2页
关键词 Convergence patterns of hyperspherical harmonicexpansion Sstates of the helium atom
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Non-sequential double ionization of helium-like atom 被引量:1
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作者 ZHANG Sheng tao, CHEN Ji (Department of Modern Physics, University of Science and Technology of China, Hefei 230026,P.R.China) 《原子与分子物理学报》 CAS CSCD 北大核心 2001年第3期244-248,共5页
In this paper, author investigated the effect of the Coulomb potential of the core of atomic helium on the rescattering processes. Through the calculation author concluded that the Coulomb potential effect may not pla... In this paper, author investigated the effect of the Coulomb potential of the core of atomic helium on the rescattering processes. Through the calculation author concluded that the Coulomb potential effect may not play an important role in causing the discrepancy between the experimental data and theoretical results of Kuchievs model, and the NS ionization is dependent on the frequency of the laser field. Furthermore, it is concluded that the strength of the laser field and the charge number of the core affect the frequency regime corresponding to the peak value of the NS ionization rate. 展开更多
关键词 双电离 类氦原子 Kuchiv's模型
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Atomic origins of solid helium bubbles in tungsten
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作者 夏敏 郭洪燕 +5 位作者 戴勇 燕青芝 郭立平 李铁成 乔祎 葛昌纯 《Chinese Physics B》 SCIE EI CAS CSCD 2014年第12期1-4,共4页
Solid helium bubbles were directly observed in the helium ion implanted tungsten(W), by different transmission electron microscopy(TEM) techniques at room temperature. The diameters of these solid helium bubbles r... Solid helium bubbles were directly observed in the helium ion implanted tungsten(W), by different transmission electron microscopy(TEM) techniques at room temperature. The diameters of these solid helium bubbles range from1 nm to 8 nm in diameter with the mean bubble size about 3 nm. The selected area electron diffraction(SAED) and fast Fourier transform(FFT) images revealed that solid helium bubbles possess body-centered cubic(bcc) structure with a lattice constant of 0.447 nm. High-angle annular dark-field scanning transmission electron microscopy(HAADF-STEM)images further confirmed the existence of helium bubble in tungsten. The present findings provide an atomic level view of the microstructure evolution of helium in the materials, and revealed the existence of solid helium bubbles in materials. 展开更多
关键词 solid helium bubble atomic origins TUNGSTEN TEM HAADF-STEM
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氦原子的简并微扰计算
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作者 黄永义 《大学物理》 2025年第3期3-4,28,共3页
用斯莱特行列式构造氦原子的零级近似波函数,用简并微扰方法计算了氦原子激发态的能级和波函数,讨论了基态能级和波函数.
关键词 斯莱特行列式 简并微扰 氦原子
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合并束冷碰撞的单量子态氦原子束研究
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作者 魏龙 杜小娇 +3 位作者 温金录 董俊峰 孙羽 胡水明 《物理学报》 北大核心 2025年第18期115-123,共9页
量子态选择的低温原子分子反应动力学研究是从原子分子层面探究分子间及分子内的微观反应机理,理解散射量子效应的关键研究手段之一.合并束低温碰撞实验方法通过将一反应物偏转后与沿直线飞行的另一反应物发生共线碰撞,获得毫开尔文量... 量子态选择的低温原子分子反应动力学研究是从原子分子层面探究分子间及分子内的微观反应机理,理解散射量子效应的关键研究手段之一.合并束低温碰撞实验方法通过将一反应物偏转后与沿直线飞行的另一反应物发生共线碰撞,获得毫开尔文量级的冷碰撞实验条件,并开展毫开尔文至百开尔文碰撞能的反应动力学研究.本文采用自主发展的永磁体“磁导”引导特定量子态的中性原子偏转后与分子束共线,通过对氦原子穿过磁导的通量测量,实验实现了三重态亚稳态2^(3)S_(1)氦原子约10°角度偏转,并制备了M_(J)=+1磁子能级激发态氦原子.本工作为发展亚稳态氦原子与分子低于开尔文量级的量子态选择激发态冷碰撞研究提供实验基础,可以促进对激发态反应在星际介质演化中重要贡献的理解以及化学反应调控的研究.本研究中发展的“磁导”也在原子速度滤波和冷原子输运等领域具有重要的应用前景. 展开更多
关键词 亚稳态氦原子 冷碰撞 合并束
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Numerical studies on the influences of gas temperature on atmospheric-pressure helium dielectric barrier discharge characteristics 被引量:2
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作者 霍伟刚 林靖松 +2 位作者 于潭学 王玉新 张华 《Plasma Science and Technology》 SCIE EI CAS CSCD 2023年第5期69-76,共8页
A fast-rising gas temperature is due to frequent collisions of the heavy particles in an atmosphericpressure dielectric barrier discharge.In this paper,a two-dimensional fluid model is applied to investigate the influ... A fast-rising gas temperature is due to frequent collisions of the heavy particles in an atmosphericpressure dielectric barrier discharge.In this paper,a two-dimensional fluid model is applied to investigate the influences of rising gas temperature on an atmospheric-pressure helium dielectric barrier discharge.With the increase in the gas temperature,it is found that:(1)a helium discharge can evolve from the discharge column to a homogeneous discharge;(2)the breakdown time is in advance and the gas breakdown voltage decreases;(3)the spatial distribution evolution of the electron density is similar to that of the helium atom density.The most significant discrepancy between them is that the electron densities are high at some positions where the helium atom densities are nevertheless low.Furthermore,the radial reduced electric fields are obtained under different gas temperatures.The physical reasons for the gas temperature effects are discussed.The simulation results provide a better understanding of the roles of the radial reduced electric field and the heavy particle. 展开更多
关键词 gas temperature electron density helium atom density radial reduced electric field
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A Planar Atom Model of Helium Based on Well-Defined Electron Trajectories
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作者 Thomas Allmendinger 《Journal of Applied Mathematics and Physics》 2025年第7期2343-2353,共11页
The original intention of the author’s preoccupation with the quantum-me-chanical behaviour of simple atoms and molecules such as Hydrogen and He-lium was,on the one hand,the elegant simplicity of Niels Bohr’s atom ... The original intention of the author’s preoccupation with the quantum-me-chanical behaviour of simple atoms and molecules such as Hydrogen and He-lium was,on the one hand,the elegant simplicity of Niels Bohr’s atom model for Hydrogen,describing the metastable states of the excited electrons by pla-nar concentric electron orbits,and,on the other hand,the hardly intelligible wave mechanical approach of Heisenberg,Schrödinger and others,describing mainly atoms with multiple electrons by three-dimensional orbitals which were characterized by probabilities of presence.Thereby the question arose whether it would be possible to find alternative atom models with well-defined electron trajectories.Therein,Louis de Broglie’s thesis of the wavy nature of electron motion implicating standing waves would have to be implemented.Nevertheless,as reviewed in the introduction,the orthodox three-dimensional concept influenced the own thinking in such a way that three-dimensional constellations for the electronic excited states were conceived.The break-through was achieved for the electronic ground state in the form of the spin-orbit coupling where the spin acts as a perpetuum mobile,inducing the orbital angular momentum h/2π.Furthermore,the insight was gained that a circu-larly rotating electron intrinsically corresponds to a harmonic oscillator,thus fulfilling the condition of a standing wave.Based on this concept,a double planar model was established for the H2-molecule which could be empirically verified by X-ray data from literature.However,for the two electrons contain-ing Helium a 2D-array seemed impossible since the Pauli-principle seemed to be violated.After a long stepwise succession of 3D-attempts which turned out to be impossible—not least since eccentric forces are not possible in such a system—the here presented 2D-version for Helium was found,composed by two imaginary orthogonal electron orbits.It will enable in a subsequent pub-lication the quantum mechanical interpretation of the thermal-radiative be-haviour of Helium which was reported in the author’s publication nine years ago. 展开更多
关键词 atom-Model of Niels Bohr Questioning of the Orthodox QUANTUM-MECHANICS Spin-Orbit Coupling of Electrons atomic Radius of helium
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Semiclassical Approach to Non-Sequential Double Ionization of Diatomic Molecules in Strong Laser Field
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作者 刘杰 陈京 《Chinese Physics Letters》 SCIE CAS CSCD 2006年第1期91-94,共4页
We develop a semiclassical model to describe the non-sequential double ionization of diatomic molecules in an intense linearly polarized field, achieving insight into the two-electron correlation effect in the ionizat... We develop a semiclassical model to describe the non-sequential double ionization of diatomic molecules in an intense linearly polarized field, achieving insight into the two-electron correlation effect in the ionization dynamics. Compared to the experimental data of nitrogen molecules, our model shows a good agreement in the tunnelling regime and a qualitative agreement in the over-barrier regime. We find that the classical collisional trajectories are the main source of the double ionization in the tunnelling regime. As a prediction of our theory, we also calculate the double ionization ratios of H2^2+/H2^+ for hydrogen molecules and predict a ratio less than that of nitrogen molecules. 展开更多
关键词 helium PULSES atomS DEPENDENCE MECHANISM DYNAMICS IONS
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