Back to search

Numerical Calculation of Multicentre Integrals for Polyatomic Molecules

Data up to Jan 2025

Published1993
Citations7
References21

Total Citations Per Year

Abstract

References (21)

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Inhomogeneous Electron Gas

1964 • 48,242 citations

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

1980 • 19,673 citations

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

1986 • 17,918 citations

Savitzky-Golay Smoothing Filters

1990 • 11,997 citations

Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation

1986 • 4,006 citations

A multicenter numerical integration scheme for polyatomic molecules

1988 • 2,589 citations

Quantum Theory of Molecules and Solids

1951 • 1,912 citations

Numerical integration for polyatomic systems

1992 • 1,793 citations

Approximate Calculation of Multiple Integrals

1973 • 1,544 citations

Density functional Gaussian-type-orbital approach to molecular geometries, vibrations, and reaction energies

1992 • 935 citations

Three‐dimensional numerical integration for electronic structure calculations

1988 • 757 citations

New algorithm for the optimization of geometries in local density functional theory

1990 • 639 citations

Molecular Schrödinger Equation. VIII. A New Method for the Evaluation of Multidimensional Integrals

1967 • 397 citations

A method for numerical integration

1961 • 200 citations

Solution of the Hartree–Fock equations for polyatomic molecules by a pseudospectral method

1987 • 154 citations

Optimal numerical integration on a sphere

1963 • 154 citations

A first solution, for LiH, of a molecular transcorrelated wave equation by means of restricted numerical integration

1969 • 131 citations

Application of diophantine integration to hartree-fock and configuration interaction calculations

2009 • 81 citations

Quantum Calculations

1966 • 53 citations

Symmetric Numerical Integration Formulas for Regular Polygons

1990 • 11 citations

Cited By (0)

Loading...