Valence-bond calculations with polarized atomic orbitals
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference28 articles.
1. On the Solution of the Hartree‐Fock Equation in Terms of Localized Orbitals
2. Orbital Theories of Electronic Structure
3. Criteria for the Construction of Good Self‐Consistent‐Field Molecular Orbital Wave Functions, and the Significance of LCAO‐MO Population Analysis
4. Molecular Scientists and Molecular Science: Some Reminiscences
5. Self-Consistent Pseudopotentials and Ultralocalized Functions for Energy Bands
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4. Extremely localized molecular orbitals (ELMO): a non-orthogonal Hartree-Fock method;Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta);1997-10-13
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