Zobrazeno 1 - 3
of 3
pro vyhledávání: '"I. N. Eryomkin"'
Autor:
I. N. Eryomkin, Yu. B. Malykhanov
Publikováno v:
Journal of Applied Spectroscopy. 78:301-308
UDC 539.182 A new way to introduce and calculate vector coupling coefficients (VCCs) is proposed for computations in a Hartree–Fock approximation of atoms with one and two open shells. In the case of atoms with one open shell (Roothaan method), the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::01c4d9a90c4b1916e130118f10b12fbd
https://doi.org/10.1007/s10812-011-9463-4
https://doi.org/10.1007/s10812-011-9463-4
Publikováno v:
Journal of Applied Spectroscopy. 77:741-748
A generalization of the Roothaan–Bagus method (Roothaan–Hartree–Fock atomic theory) on atoms with open shells of identical symmetry is given. Using orbital exponents of Slater-type atomic orbitals optimized with high accuracy by methods for the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0791c41d6138b464ca21086a8151a88d
https://doi.org/10.1007/s10812-011-9397-x
https://doi.org/10.1007/s10812-011-9397-x
Autor:
I. N. Eryomkin, Yu. B. Malykhanov
Publikováno v:
Journal of Applied Spectroscopy. 75:483-487
Time-dependent Hartree-Fock equations (the Huzinaga method) in terms of density functionals have been obtained for a multielectronic system with two open shells of different symmetry species subjected to a time-dependent external perturbation. Based
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::38ea7c02eb46346580a0d376c1dd3988
https://doi.org/10.1007/s10812-008-9087-5
https://doi.org/10.1007/s10812-008-9087-5