The orthogonality constrained basis set expansion method for treating off-diagonal lagrange multipliers in calculations of electronic wave functions
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Abstract
References (17)
Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms
1934 • 6,923 citations
New Developments in Molecular Orbital Theory
1951 • 5,347 citations
Self-Consistent Field Theory for Open Shells of Electronic Systems
1960 • 1,927 citations
Excited States of H2O using improved virtual orbitals
1969 • 599 citations
Configuration interaction in orbital theories
1955 • 583 citations
The molecular orbital theory of chemical valency XVI. A theory of paired-electrons in polyatomic molecules
1953 • 434 citations
Extended Hartree—Fock Wavefunctions: Optimized Valence Configurations for H2 and Li2, Optimized Double Configurations for F2
1966 • 422 citations
Multi-Configuration Self-Consistent-Field Theory
1967 • 173 citations
Complete multi-configuration self-consistent field theory
1967 • 164 citations
Extended Hartree—Fock Ground-State Wavefunctions for the Lithium Molecule
1967 • 131 citations
Analytical Methods in Hartree-Fock Self-Consistent Field Theory
1961 • 107 citations
Applicability of Roothaan's Self-Consistent Field Theory
1960 • 107 citations
Self-Consistent-Field Theory. I. General Treatment
1963 • 88 citations
Electron Correlation and Separated-Pair Approximation. An Application to Berylliumlike Atomic Systems
1968 • 88 citations
L’interaction de configuration comme méthode de calcul des orbitales moléculaires du champ self-consistent
1957 • 57 citations
Self-Consistent-Field Theory. IV. LCAO Approximation for Excited States
1964 • 19 citations
Self-consistent field calculations of the electronic states of radicals
1969 • 3 citations