| Autor: |
Jeszenszki, Péter, Ferenc, Dávid, Mátyus, Edit |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 6/14/2021, Vol. 154 Issue 22, p1-7, 7p |
| Abstrakt: |
A variational solution procedure is reported for the many-particle no-pair Dirac–Coulomb and Dirac–Coulomb–Breit Hamiltonians aiming at a parts-per-billion (ppb) convergence of the atomic and molecular energies, described within the fixed nuclei approximation. The procedure is tested for nuclear charge numbers from Z = 1 (hydrogen) to 28 (iron). Already for the lowest Z values, a significant difference is observed from leading-order Foldy–Woythusen perturbation theory, but the observed deviations are smaller than the estimated self-energy and vacuum polarization corrections. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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