A new method for diagonalising large matrices

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

An iteration method for the solution of the eigenvalue problem of linear differential and integral operators

1950 • 4,159 citations

The Symmetric Eigenvalue Problem

1998 • 3,238 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices

1975 • 2,416 citations

Convergence acceleration of iterative sequences. the case of scf iteration

1980 • 2,376 citations

A Note on the Quantum-Mechanical Perturbation Theory

1951 • 924 citations

Electronic Spectra of Crystalline Germanium and Silicon

1964 • 448 citations

Ionicity and the theory of Schottky barriers

1977 • 327 citations

Sparse Matrices and Their Uses.

1983 • 229 citations

First-principles nonlocal-pseudopotential approach in the density-functional formalism: Development and application to atoms

1978 • 199 citations

First-principles nonlocal-pseudopotential approach in the density-functional formalism. II. Application to electronic and structural properties of solids

1979 • 194 citations

New approach for solving the density-functional self-consistent-field problem

1982 • 183 citations

Algorithm for Diagonalization of Large Matrices

1965 • 178 citations

Modification of Davidson's method for the calculation of eigenvalues and eigenvectors of large real-symmetric matrices: “root homing procedure”

1976 • 87 citations

Modification of Nesbet's algorithm for the iterative evaluation of eigenvalues and eigenvectors of large matrices

1970 • 69 citations

Contemporary pseudopotentials—Simple reliability criteria

1979 • 41 citations

A simultaneous coordinate relaxation algorithm for large, sparce matrix eigenvalue problems

1979 • 28 citations

Photoluminescent Properties of Some Europium-Activated Gadolinium and Yttrium Compounds

1965 • 24 citations

The solution of natural frequency equations by relaxation methods

1948 • 20 citations

Gaussian expansions of hydrogenic functions involving few variational parameters

1980 • 2 citations