Implementation of a DFT-Based Method for the Calculation of the Zeeman g-Tensor in Periodic Systems with the Use of Numerical and Slater-Type Atomic Orbitals-Reference-Cited by-同舟云学术

Implementation of a DFT-Based Method for the Calculation of the Zeeman g-Tensor in Periodic Systems with the Use of Numerical and Slater-Type Atomic Orbitals

Published:2009-01-27 Issue:7 Volume:113 Page:1327-1334
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Kadantsev Eugene S.¹,Ziegler Tom¹

Affiliation:

1. Department of Chemistry, University of Calgary, Calgary, Alberta, T2N 1N4 Canada

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp805466c

Reference43 articles.

1. Calculation of NMR and EPR Parameters

2. Ab initio study of molecularg-tensors

3. The electronicg-tensor of MgF: A comparison of ROHF and MRD?CI level results

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