We present a scheme for calculating atomic single-particle wave functions and spectra with taking into account the nonspherical effect explicitly. The actual calculation is also performed for the neutral carbon atom within the Hartree-Fock-Slater approximation. As compared with the conventional atomic structure of the spherical approximation; the degenerate energy levels are split partially. The ground state values of the total orbital and spin angular momenta are estimated to be both about unity; which corresponds to the term 3P in the LS-multiplet theory. This means that the nonspherical effect may play an essential role in the description of the magnetization caused by the orbital polarization
A simple method for the calculation of approximate energies of atomic levels is presented in this pa...
A simple atomic model, with features characteristic of the screening-theory approach, is constructed...
Graduation date: 2010Electronic structure calculations for free and immersed\ud atoms are performed ...
We present a scheme for calculating atomic single-particle wave functions and spectra with taking in...
We perform the self-consistent calculations on the atomic electron affinity and ionization energy fo...
Graduation date: 2008Total electronic energies are calculated numerically for\ud free and singly-ion...
Les énergies de corrélations des niveaux les plus bas des atomes de la première rangée et de leurs i...
We perform the self-consistent calculations on the atomic electron affinity and ionization energy fo...
The electron correlation for inter-shells (1s 2p), (1s 3p) and (1s 3d) was described by the inter-p...
recently developed finite-element approach for fully numerical atomic structure calculations [S. Leh...
The nodal structures of atomic wave functions based on a product of spatial orbitals, namely, restri...
It is discussed that one can obtain effective atomic orbitals (AOs) in quite different theoretical f...
The Method of Coherent Structures (MCS) has been used, as an example of a sufficiently complex atomi...
The simultaneous optimization of the bound and continuum multiconfiguration Hartree-Fock orbitals fo...
Analytic approximations to nonrelativistic atomic ground state energies are obtained from the first ...
A simple method for the calculation of approximate energies of atomic levels is presented in this pa...
A simple atomic model, with features characteristic of the screening-theory approach, is constructed...
Graduation date: 2010Electronic structure calculations for free and immersed\ud atoms are performed ...
We present a scheme for calculating atomic single-particle wave functions and spectra with taking in...
We perform the self-consistent calculations on the atomic electron affinity and ionization energy fo...
Graduation date: 2008Total electronic energies are calculated numerically for\ud free and singly-ion...
Les énergies de corrélations des niveaux les plus bas des atomes de la première rangée et de leurs i...
We perform the self-consistent calculations on the atomic electron affinity and ionization energy fo...
The electron correlation for inter-shells (1s 2p), (1s 3p) and (1s 3d) was described by the inter-p...
recently developed finite-element approach for fully numerical atomic structure calculations [S. Leh...
The nodal structures of atomic wave functions based on a product of spatial orbitals, namely, restri...
It is discussed that one can obtain effective atomic orbitals (AOs) in quite different theoretical f...
The Method of Coherent Structures (MCS) has been used, as an example of a sufficiently complex atomi...
The simultaneous optimization of the bound and continuum multiconfiguration Hartree-Fock orbitals fo...
Analytic approximations to nonrelativistic atomic ground state energies are obtained from the first ...
A simple method for the calculation of approximate energies of atomic levels is presented in this pa...
A simple atomic model, with features characteristic of the screening-theory approach, is constructed...
Graduation date: 2010Electronic structure calculations for free and immersed\ud atoms are performed ...