Finite-element methods in electronic-structure theory

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 61.8K citations · Full text

Quantum Dynamic, Dynamic Equilibrium, Engineering +16

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.6K citations

Engineering, First-principles Pseudopotentials, Functional Analysis +19

Linear methods in band theory

OK Andersen · Physical review. B, Solid state · 1975 · 6.5K citations

Numerical Analysis, Engineering, Microlocal Analysis +17

The density functional formalism, its applications and prospects

R. Jones, O. Gunnarsson · Reviews of Modern Physics · 1989 · 3.9K citations

Localized Excited State, Engineering, Ground-state Properties +17

An analysis of the finite element method

Advances in Water Resources · 1980 · 3.5K citations

Numerical Analysis, Finite Element Method, Method Of Fundamental Solution +6