A note on density matrix extrapolation and multiple solutions of the unrestricted Hartree-Fock equations
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference21 articles.
1. The determination of SCF LCAO solutions for open shell configurations
2. The convergence of the Rayleigh-Ritz Method in quantum chemistry
3. Hartree-Fock Bound States for Molecule-Ions HeC" and Hec
4. The Quantum Mechanics of Many Body Systems, Academic, New York, 1961.
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