| Autor: |
Ferenc, Dávid, Jeszenszki, Péter, Mátyus, Edit |
| Předmět: |
|
| Zdroj: |
Journal of Chemical Physics; 2/28/2022, Vol. 156 Issue 8, p1-11, 11p |
| Abstrakt: |
The Breit interaction is implemented in the no-pair variational Dirac–Coulomb (DC) framework using an explicitly correlated Gaussian basis reported in the previous paper [P. Jeszenszki, D. Ferenc, and E. Mátyus, J. Chem. Phys. 156, 084111 (2022)]. Both a perturbative and a fully variational inclusion of the Breit term are considered. The no-pair DC plus perturbative Breit and the no-pair DC–Breit energies are compared with perturbation theory results including the Breit–Pauli Hamiltonian and leading-order non-radiative quantum electrodynamics corrections for low Z values. Possible reasons for the observed deviations are discussed. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
|
