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Density functional calculations of molecular g-tensors in the zero-order regular approximation...
- Source :
- Journal of Chemical Physics; 8/15/1997, Vol. 107 Issue 7, p2488, 11p, 3 Charts
- Publication Year :
- 1997
-
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.
- Subjects :
- DENSITY functionals
MOLECULAR dynamics
DIRAC equation
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 107
- Issue :
- 7
- Database :
- Complementary Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 4321451
- Full Text :
- https://doi.org/10.1063/1.474590