Electron paramagnetic resonance g-tensors from state interaction spin-orbit coupling density matrix renormalization group
Author:
Affiliation:
1. Department of Chemistry, Princeton University, Princeton, New Jersey 08543, USA
2. Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA
Funder
National Science Foundation
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.5020079
Reference73 articles.
1. Density functional calculations of molecular g-tensors in the zero-order regular approximation for relativistic effects
2. Calculation of the G-Tensor of Electron Paramagnetic Resonance Spectroscopy Using Gauge-Including Atomic Orbitals and Density Functional Theory
3. Calculation of the EPR g-Tensors of High-Spin Radicals with Density Functional Theory
4. Density Functional Calculations of Electronic g-Tensors Using Spin−Orbit Pseudopotentials and Mean-Field All-Electron Spin−Orbit Operators
5. Calculation of electronic g-tensors for transition metal complexes using hybrid density functionals and atomic meanfield spin-orbit operators
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