Quantum Master Equation Method Based on the Broken-Symmetry Time-Dependent Density Functional Theory: Application to Dynamic Polarizability of Open-Shell Molecular Systems
Author:
Affiliation:
1. Department of Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp200056m
Reference119 articles.
1. The Electronic Properties of Diradicals
2. Occupation numbers of natural orbitals as a criterion for biradical character. Different kinds of biradicals
3. Organic Diradicals and Polyradicals: From Spin Coupling to Magnetism?
4. Effects of electron repulsion in conjugated hydrocarbon diradicals
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