Use of Gaussian Functions in the Calculation of Wavefunctions for Small Molecules. III. The Orbital Basis and Its Effect on Valence
Data up to Jan 2025
Total Citations Per Year
Abstract
References (12)
New Developments in Molecular Orbital Theory
1951 • 5,347 citations
An efficient method for finding the minimum of a function of several variables without calculating derivatives
1964 • 4,391 citations
Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system
1950 • 1,204 citations
Criteria for the Construction of Good Self-Consistent-Field Molecular Orbital Wave Functions, and the Significance of LCAO-MO Population Analysis
1962 • 608 citations
Analytical Self-Consistent Field Functions for the Atomic Configurations<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>1</mml:mn><mml:mrow><mml:msup><mml:mrow><mml:mi>s</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:math>,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>1</mml:mn><mml:mrow><mml:msup><mml:mrow><mml:mi>s</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></…
1960 • 422 citations
Studies in Molecular Structure. I. Scope and Summary of the Diatomic Molecule Program
1960 • 234 citations
Use of Gaussian Functions in the Calculation of Wavefunctions for Small Molecules. I. Preliminary Investigations
1963 • 192 citations
Self-consistent field, with exchange, for nitrogen and sodium
1948 • 114 citations
Use of Gaussian Functions in the Calculation of Wavefunctions for Small Molecules. II. The Ammonia Molecule
1963 • 85 citations
The use of Gaussian (exponential quadratic) wave functions in molecular problems. II. Wave functions for the ground states of the hydrogen atom and of the hydrogen molecule
1960 • 68 citations
Mathematical Problems in the Complete Quantum Predictions of Chemical Phenomena
1960 • 55 citations
A Mechanization of Algebraic Differentiation and the Automatic Generation of Formulae for Molecular Integrals of Gaussian Orbitals
1963 • 12 citations