Localized orbitals based on the fermi hole

A Simplification of the Hartree-Fock Method

J. C. Slater · Physical Review · 1951 · 4.5K citations

Numerical Analysis, Engineering, Electron Diffraction +18

Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals

Warren J. Hehre, R. F. Stewart, John A. Pople · The Journal of Chemical Physics · 1969 · 4.2K citations

Engineering, Self-consistent Molecular-orbital Methods, Computational Chemistry +18

Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

Per‐Olov Löwdin · Physical Review · 1955 · 3.5K citations

Engineering, Many-body Quantum Physic, Symmetric Function +16

On the Non-Orthogonality Problem Connected with the Use of Atomic Wave Functions in the Theory of Molecules and Crystals

Per‐Olov Löwdin · The Journal of Chemical Physics · 1950 · 3.1K citations

Quantum Dynamic, Engineering, Theoretical Inorganic Chemistry +22

Localized Atomic and Molecular Orbitals

C. Edmiston, Klaus Ruedenberg · Reviews of Modern Physics · 1963 · 1.6K citations

Localized Excited State, Engineering, Physics +8