Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

Unified Approach for Molecular Dynamics and Density-Functional Theory

1985 • 10,277 citations

Efficacious Form for Model Pseudopotentials

1982 • 5,519 citations

Norm-Conserving Pseudopotentials

1979 • 4,047 citations

Pseudopotentials that work: From H to Pu

1982 • 3,300 citations

Optimized pseudopotentials

1990 • 2,278 citations

Nonlinear ionic pseudopotentials in spin-density-functional calculations

1982 • 2,226 citations

New Method for Calculating Wave Functions in Crystals and Molecules

1959 • 1,207 citations

Generalized norm-conserving pseudopotentials

1989 • 1,134 citations

Pseudopotential methods in condensed matter applications

1989 • 874 citations

Optimally smooth norm-conserving pseudopotentials

1985 • 789 citations

Non-singular atomic pseudopotentials for solid state applications

1980 • 562 citations

Conjugate gradient minimization of the energy functional: A new method for electronic structure calculation

1989 • 405 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

Extended norm-conserving pseudopotentials

1989 • 133 citations

A new iterative scheme for obtaining eigenvectors of large, real-symmetric matrices

1989 • 29 citations

Fast diagonalisation of nonlocal pseudopotential Hamiltonians

1989 • 10 citations