Ab Initio Effective Core Potentials For Molecular Calculations. Potentials For K To Au Including The Outermost Core Orbitals

·1985·DOI

Engineering and Technology

Materials Science and Physics

Quantum Materials and Dynamics

Atomic and Molecular Electronic Systems

Role in the Field

Neutralin Engineering and Technology

Neutralin Materials Science and Physics

Neutralin Quantum Materials and Dynamics

Neutralin Atomic and Molecular Electronic Systems

Abstract

Citations

14,144

Year

1985

PageRank

5.2 / 10

Relative influence (log-scaled)

Related Papers

10 of 10 papers

Phonons And Related Crystal Properties From Density-Functional Perturbation Theory

·2001·7,996 citations

Electron-energy-loss Spectra And The Structural Stability Of Nickel Oxide: An LSDA+U Study

·1998·11,892 citations

Observation Of Bose-Einstein Condensation In A Dilute Atomic Vapor

·1995·5,837 citations

General Atomic And Molecular Electronic Structure System

·1993·18,279 citations

Gaussian Basis Sets For Use In Correlated Molecular Calculations. III. The Atoms Aluminum Through Argon

·1993·8,715 citations

A Simple Measure Of Electron Localization In Atomic And Molecular Systems

·1990·5,768 citations

Embedded-atom Method: Derivation And Application To Impurities, Surfaces, And Other Defects In Metals

·1984·6,123 citations

Roothaan-Hartree-Fock Atomic Wavefunctions

·1974·5,349 citations

Optical Constants Of The Noble Metals

·1972·16,981 citations

Electron Correlations In Narrow Energy Bands

·1963·5,429 citations