Implementation of a Density Functional Theory-Based Method for the Calculation of the Hyperfine A-tensor in Periodic Systems with the Use of Numerical and Slater Type Atomic Orbitals: Application to Paramagnetic Defects-Reference-Cited by-同舟云学术

Implementation of a Density Functional Theory-Based Method for the Calculation of the Hyperfine A-tensor in Periodic Systems with the Use of Numerical and Slater Type Atomic Orbitals: Application to Paramagnetic Defects

Published:2008-04-16 Issue:19 Volume:112 Page:4521-4526
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/jp800494m

Reference56 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. The zero‐order regular approximation for relativistic effects: The effect of spin–orbit coupling in closed shell molecules

4. Density functional calculations of molecular g-tensors in the zero-order regular approximation for relativistic effects

5. Density functional calculations of molecular hyperfine interactions in the zero order regular approximation for relativistic effects

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