Density Functional Theory of Open-Shell Systems. The 3d-Series Transition-Metal Atoms and Their Cations
Author:
Affiliation:
1. Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct400712k
Reference110 articles.
1. Self-Consistent Equations Including Exchange and Correlation Effects
2. On the definition of local spin in relativistic and nonrelativistic quantum chemistry
3. Spin in density-functional theory
4. Density functional theory for transition metals and transition metal chemistry
5. Density functional study of multiplicity-changing valence and Rydberg excitations of p-block elements: Delta self-consistent field, collinear spin-flip time-dependent density functional theory (DFT), and conventional time-dependent DFT
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