PulseExploreJournal ClubDebatesTrendingResearchersJournals
Instagram
HomeExploreJournal ClubTrending
Synapse
⌘+K
Synapse
December 22, 2005The Journal of Chemical Physics583 citations

Quasirelativistic theory equivalent to fully relativistic theory

View Full Paper
WKWerner KutzelniggWLWenjian Liu

Key Points

Key points are not available for this paper at this time.

Abstract

The Dirac operator in a matrix representation in a kinetically balanced basis is transformed to a quasirelativistic Hamiltonian matrix, that has the same electronic eigenstates as the original Dirac matrix. This transformation involves a matrix X, for which an exact identity is derived, and which can be constructed either in a noniterative way or by various iteration schemes, without requiring an expansion parameter. The convergence behavior of five different iteration schemes is studied numerically, with very promising results.

Ask AI
Helpful
Bookmark
Share
View Full Paper

Cite This Study

Kutzelnigg et al. (2005) studied this question.

synapsesocial.com/papers/6a084a7f113ba5b476de1397https://doi.org/10.1063/1.2137315
Ask AI
Helpful
Bookmark
Share
View Full Paper