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CI-MBPT: A package of programs for relativistic atomic calculations based on a method combining configuration interaction and many-body perturbation theory. / Kozlov, M.G.; Porsev, S.G.; Safronova, M.S.; Tupitsyn, I.I.

In: Computer Physics Communications, Vol. 195, 2015, p. 199-213.

Research output: Contribution to journal › Article

Harvard

Kozlov, MG, Porsev, SG, Safronova, MS & Tupitsyn, II 2015, 'CI-MBPT: A package of programs for relativistic atomic calculations based on a method combining configuration interaction and many-body perturbation theory', Computer Physics Communications, vol. 195, pp. 199-213. https://doi.org/10.1016/j.cpc.2015.05.007

APA

Kozlov, M. G., Porsev, S. G., Safronova, M. S., & Tupitsyn, I. I. (2015). CI-MBPT: A package of programs for relativistic atomic calculations based on a method combining configuration interaction and many-body perturbation theory. Computer Physics Communications, 195, 199-213. https://doi.org/10.1016/j.cpc.2015.05.007

Vancouver

Kozlov MG, Porsev SG, Safronova MS, Tupitsyn II. CI-MBPT: A package of programs for relativistic atomic calculations based on a method combining configuration interaction and many-body perturbation theory. Computer Physics Communications. 2015;195:199-213. https://doi.org/10.1016/j.cpc.2015.05.007

Author

Kozlov, M.G. ; Porsev, S.G. ; Safronova, M.S. ; Tupitsyn, I.I. / CI-MBPT: A package of programs for relativistic atomic calculations based on a method combining configuration interaction and many-body perturbation theory. In: Computer Physics Communications. 2015 ; Vol. 195. pp. 199-213.

BibTeX

@article{ee7f843ca1694a03afc8df9265944a4b,
title = "CI-MBPT: A package of programs for relativistic atomic calculations based on a method combining configuration interaction and many-body perturbation theory",
abstract = "This package of programs allows us to carry out relativistic calculations for many-electron atoms and ions. One can find energy levels and a number of atomic properties: g-factors, magnetic-dipole and electric- quadrupole hyperfine structure constants, electric- and magnetic-multipole transition amplitudes, and matrix elements of the parity nonconserving interactions. Method of calculation is based on a combination of conventional configuration interaction (CI) method and many-body perturbation theory (MBPT). The former explicitly accounts for the interaction between valence electrons, while the latter includes core–core and core–valence correlations. These two methods are combined to acquire benefits from both approaches and attain better accuracy.",
keywords = "core and valence atomic orbitals, configuration interaction, perturbation theory",
author = "M.G. Kozlov and S.G. Porsev and M.S. Safronova and I.I. Tupitsyn",
year = "2015",
doi = "10.1016/j.cpc.2015.05.007",
language = "English",
volume = "195",
pages = "199--213",
journal = "Computer Physics Communications",
issn = "0010-4655",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - CI-MBPT: A package of programs for relativistic atomic calculations based on a method combining configuration interaction and many-body perturbation theory

AU - Kozlov, M.G.

AU - Porsev, S.G.

AU - Safronova, M.S.

AU - Tupitsyn, I.I.

PY - 2015

Y1 - 2015

N2 - This package of programs allows us to carry out relativistic calculations for many-electron atoms and ions. One can find energy levels and a number of atomic properties: g-factors, magnetic-dipole and electric- quadrupole hyperfine structure constants, electric- and magnetic-multipole transition amplitudes, and matrix elements of the parity nonconserving interactions. Method of calculation is based on a combination of conventional configuration interaction (CI) method and many-body perturbation theory (MBPT). The former explicitly accounts for the interaction between valence electrons, while the latter includes core–core and core–valence correlations. These two methods are combined to acquire benefits from both approaches and attain better accuracy.

AB - This package of programs allows us to carry out relativistic calculations for many-electron atoms and ions. One can find energy levels and a number of atomic properties: g-factors, magnetic-dipole and electric- quadrupole hyperfine structure constants, electric- and magnetic-multipole transition amplitudes, and matrix elements of the parity nonconserving interactions. Method of calculation is based on a combination of conventional configuration interaction (CI) method and many-body perturbation theory (MBPT). The former explicitly accounts for the interaction between valence electrons, while the latter includes core–core and core–valence correlations. These two methods are combined to acquire benefits from both approaches and attain better accuracy.

KW - core and valence atomic orbitals

KW - configuration interaction

KW - perturbation theory

U2 - 10.1016/j.cpc.2015.05.007

DO - 10.1016/j.cpc.2015.05.007

M3 - Article

VL - 195

SP - 199

EP - 213

JO - Computer Physics Communications

JF - Computer Physics Communications

SN - 0010-4655

ER -

ID: 3978908