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Open-Shell Orthogonal Molecular Orbital Theory

Data up to Jan 2025

Published1967
Citations78
References20

Total Citations Per Year

Abstract

References (20)

Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation Effects

1955 • 1,103 citations

XXXIV. Notes on the molecular orbital treatment of the hydrogen molecule

1949 • 541 citations

Extended Hartree—Fock Wavefunctions: Optimized Valence Configurations for H2 and Li2, Optimized Double Configurations for F2

1966 • 422 citations

Table of molecular integrals

1955 • 373 citations

Angular Momentum Wavefunctions Constructed by Projector Operators

1964 • 276 citations

Extension of the Dirac Vector Model to Include Several Configurations

1934 • 170 citations

Natural Expansion of the First‐Order Density Matrix for a Spin‐Projected Single Determinant

1964 • 162 citations

Studies on the Alternant Molecular Orbital Method. I. General Energy Expression for an Alternant System with Closed-Shell Structure

1962 • 150 citations

Expansion Theorems for the Total Wave Function and Extended Hartree-Fock Schemes

1960 • 126 citations

The Solution of Problems Involving Permutation Degeneracy

1934 • 111 citations

Natural Spin Orbital Analysis of Hydrogen Molecule Wave Functions

1959 • 111 citations

Spin-Component Analysis of Single-Determinant Wavefunctions

1963 • 98 citations

Molecular Orbital Studies of Excited States of HeH

1963 • 90 citations

Studies on the Alternant Molecular Orbital Method. IV. Generalization of the Method to States with Different Multiplicities

1962 • 56 citations

Molecular Orbital Studies of Diatomic Molecules. III. The Ground State of the Hydrogen Molecule

1963 • 43 citations

Construction of Exact Spin Eigenfunctions

1964 • 42 citations

Split-Shell Molecular Orbitals for Sigma-Bonded Systems: Hydrogen Halides

1965 • 35 citations

A quantum mechanical study of the LiH molecule in the ground state

1964 • 28 citations

On the calculation of spin densities

1966 • 23 citations

Recent Developments in the Method of Different Orbitals for Different Spins

1965 • 15 citations

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Open-Shell Orthogonal Molecular Orbital Theory (1967) – The Journal of Chemical Physics | Metascience Observatory Explorer