An evaluation of the density functional approach in the zero order regular approximation for relativistic effects: Magnetic interactions in small metal compounds-Reference-Cited by-同舟云学术

An evaluation of the density functional approach in the zero order regular approximation for relativistic effects: Magnetic interactions in small metal compounds

Published:2001 Issue:10 Volume:114 Page:4421
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Belanzoni Paola,van Lenthe Erik,Baerends Evert Jan

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference46 articles.

1. MRSD-CI and LDF studies of the VN X 3Δ and D 3Π states

2. Electron spin resonance studies of 45Sc17O, 89Y17O, and 139La17O in rare gas matrices: Comparison with ab initio electronic structure and nuclear hyperfine calculations

3. A Critical Validation of Density Functional and Coupled-Cluster Approaches for the Calculation of EPR Hyperfine Coupling Constants in Transition Metal Complexes

4. Prediction of electron paramagnetic resonanceg-tensors of transition metal complexes using density functional theory: First applications to some axial d1MEX4 systems

5. Relativistic perturbation theory. I. A new perturbation approach to the Dirac equation

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