TY - JOUR

T1 - Finite-Basis-Set Approach to the Two-Center Heteronuclear Dirac Problem

AU - Котов, Артем Артурович

AU - Глазов, Дмитрий Алексеевич

AU - Малышев, Алексей Владимирович

AU - Шабаев, Владимир Моисеевич

AU - Plunien, Günter

PY - 2022

Y1 - 2022

N2 - The rigorous two-center approach based on the dual-kinetically balanced finite-basis-set expansion is applied to one-electron, heteronuclear diatomic Bi-Au, U-Pb, and Cf-U quasimolecules. The obtained 1σ ground-state energies are compared with previous calculations, when possible. Upon analysis of three different placements of the coordinate system’s origin in the monopole approximation of the two-center potential: (1) in the middle, between the nuclei, (2) in the center of the heavy nucleus, and (3) in the center of the light nucleus, a substantial difference between the results is found. The leading contributions of one-electron quantum electrodynamics (self-energy and vacuum polarization) are evaluated within the monopole approximation as well.

AB - The rigorous two-center approach based on the dual-kinetically balanced finite-basis-set expansion is applied to one-electron, heteronuclear diatomic Bi-Au, U-Pb, and Cf-U quasimolecules. The obtained 1σ ground-state energies are compared with previous calculations, when possible. Upon analysis of three different placements of the coordinate system’s origin in the monopole approximation of the two-center potential: (1) in the middle, between the nuclei, (2) in the center of the heavy nucleus, and (3) in the center of the light nucleus, a substantial difference between the results is found. The leading contributions of one-electron quantum electrodynamics (self-energy and vacuum polarization) are evaluated within the monopole approximation as well.

U2 - 10.3390/atoms10040145

DO - 10.3390/atoms10040145

M3 - Article

VL - 10

JO - Atoms

JF - Atoms

SN - 2218-2004

IS - 4

M1 - 145

ER -