TITLE

Density functional calculations of molecular g-tensors in the zero-order regular approximation

AUTHOR(S)
van Lenthe, Erik; Wormer, Paul E.S.; van der Avoid, Ad
PUB. DATE
August 1997
SOURCE
Journal of Chemical Physics;8/15/1997, Vol. 107 Issue 7, p2488
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Reports on density functional calculations of molecular g-tensors in the zero-order regular approximation for relativistic effects. Consideration of spin-orbit coupling using the zero-order regular approximation to the Dirac equation; Solution for the problem of gauge dependence.
ACCESSION #
4321451

 

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