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
Electrons are believed to avoid one another in space(correlation) due to the Coulomb repulsion and/or the Pauli exclusion principle.It is shown, using examples of two-electron systems, that indeed the mean electron-el...Electrons are believed to avoid one another in space(correlation) due to the Coulomb repulsion and/or the Pauli exclusion principle.It is shown, using examples of two-electron systems, that indeed the mean electron-electron distance increases in case of the ground electronic state as compared to the independent electron model. It is demonstrated however that there exist excited states, often of low energy, in which the electrons, while having a lot of free physical space(with nuclei being absent), choose to be close to each other in their motion("anticorrelation"), as if they mutually attracted one another. The source of this effect, quantummechanical in nature, is the orthogonality of the eigenfunctions, that forces the electronic wave functions to differ widely, even at the price of short electron-electron distances. There are also excited states with a mixed behaviour, with complex and often intriguing correlation-anticorrelation patterns.展开更多
基金The project supported by National Natural Science Foundation of China under Grant No. 10147207, the Natural Science Foundation of Chongqing Science and Technology Committee under Grant No. 2005BB8267, and the Fundamental Research Foundation of Chongqing Education Committee under Grant No. KJ060813
文摘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.
文摘Electrons are believed to avoid one another in space(correlation) due to the Coulomb repulsion and/or the Pauli exclusion principle.It is shown, using examples of two-electron systems, that indeed the mean electron-electron distance increases in case of the ground electronic state as compared to the independent electron model. It is demonstrated however that there exist excited states, often of low energy, in which the electrons, while having a lot of free physical space(with nuclei being absent), choose to be close to each other in their motion("anticorrelation"), as if they mutually attracted one another. The source of this effect, quantummechanical in nature, is the orthogonality of the eigenfunctions, that forces the electronic wave functions to differ widely, even at the price of short electron-electron distances. There are also excited states with a mixed behaviour, with complex and often intriguing correlation-anticorrelation patterns.
