Applicability of the lowest-order two-electron Breit-Pauli relativistic correction in many-electron heavy and super-heavy elements

Junji Seino, Masahiko Hada*

*この研究の対応する著者

研究成果: Article査読

11 被引用数 (Scopus)

抄録

The applicability of the lowest-order two-electron Breit-Pauli (2e-BP) relativistic correction incorporated with the infinite-order Foldy-Wouthuysen (IOFW) transformation was examined in heavy and super-heavy elements. Comparing with the non-relativistic Coulomb repulsion term, in cases of moderately heavy noble-gas atoms (He to Ar), the 2e-BP correction gave the SCF energies practically equivalent to those obtained with the Dirac-Fock/Coulomb method. The spin-orbit splittings were also corrected reasonably. On the other hand, in heavy noble-gas atoms (Kr to Rn), the 2e-BP correction tended to overshoot energy lowering, and in a super-heavy atom (E118), evidences of collapse of the 2e-BP correction were observed.

本文言語English
ページ(範囲)134-139
ページ数6
ジャーナルChemical Physics Letters
442
1-3
DOI
出版ステータスPublished - 2007 7月 6
外部発表はい

ASJC Scopus subject areas

  • 物理学および天文学(全般)
  • 物理化学および理論化学

フィンガープリント

「Applicability of the lowest-order two-electron Breit-Pauli relativistic correction in many-electron heavy and super-heavy elements」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル