Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient
Author:
Affiliation:
1. Department of Chemistry, University of Helsinki, P.O. Box 55, A. I. Virtasen aukio 1, FI-00014 Helsinki, Finland
Funder
Luonnontieteiden ja Tekniikan Tutkimuksen Toimikunta
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b01089
Reference111 articles.
1. Inhomogeneous Electron Gas
2. Self-Consistent Equations Including Exchange and Correlation Effects
3. MC‐SCF. I. The multi‐configuration self‐consistent‐field method
4. On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods
5. Density matrix formulation for quantum renormalization groups
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