A general pseudopotential model for molecules with many valence electrons

Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms

1934 • 6,923 citations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Approximate molecular orbital theory

1970 • 3,604 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

The Theory of Atomic Spectra

1935 • 2,476 citations

Atomic Screening Constants from SCF Functions

1963 • 2,375 citations

ESCA applied to free molecules

1969 • 2,132 citations

Methods of Molecular Quantum Mechanics

1971 • 1,655 citations

New Method for Calculating Wave Functions in Crystals and Molecules

1959 • 1,207 citations

Photoelectron spectra and valence shell orbital structures of groups V and VI hydrides

1972 • 336 citations

Photoelectron Spectra of the Halogens

1971 • 212 citations

Millimeter-Wave Rotational Spectrum of HSSH and DSSD. I. Q Branches

1968 • 170 citations

Ab Initio Effective Potentials for Use in Molecular Calculations

1972 • 145 citations

Muffin-tin orbitals and molecular calculations: General formalism

1973 • 137 citations

Natural Expansion of Exact Wavefunctions. II. The Hydrogen-Molecule Ground State

1962 • 132 citations

The photoelectron spectra and ionized states of the halogen acids

1968 • 130 citations

Electric Dipole Moment for First- and Second-Row Diatomic Hydride Molecules, AH

1966 • 110 citations

Use of Pseudopotentials in Atomic-Structure Calculations

1968 • 108 citations

Electronic potential energy surfaces for the reaction K+NaCl=KCl+Na

1968 • 89 citations

Valence-electron-only calculations of electronic structure

1973 • 85 citations

Molecular SCF Calculations for SiH4 and H2S

1969 • 77 citations

Atomic and Molecular Calculations with the Pseudopotential Method. II. Exact Pseudopotentials for Li, Na, K, Rb, Be+, Mg+, Ca+, Al++, Cu, and Zn+

1967 • 77 citations

Contribution of Core Polarization to the Cohesive Energies of the Alkali Metals

1957 • 60 citations

Theoretical Analysis of the Electronic Structure and Molecular Properties of the Alkali Halides. III. Sodium Chloride

1968 • 59 citations

Atomic and Molecular Calculations with Pseudopotential Method. IV. Excited Atomic Valence-Electron Energy Values, Wavefunctions, and Oscillator Strengths

1969 • 58 citations

Atomic and Molecular Calculations with the Pseudopotential Method. III. The Theory of Li2, Na2, K2, LiH, NaH, and KH

1968 • 57 citations

Ab initio calculations of the excited states of the permanganate and chromate ions

1971 • 57 citations

Semiempirical pseudopotential surfaces for chemical reactions: The (AB)⁺X^-dialkali halide systems

1973 • 55 citations

Barrier to internal rotation in hydrogen persulphide

1970 • 36 citations

Potential curves of alkali diatomic molecules and the origins of bonding anomalies

1970 • 35 citations

Theoretical Study of the Barriers to Internal Rotation in Hydrogen Persulfide, HSSH

1969 • 29 citations

Theoretical study of the electronic structure and barriers to rotation in H2O2 and H2S2

1970 • 27 citations

Ab initio calculations on valence-shell molecular orbitals

1974 • 21 citations

Studies of valence and core electron binding energies by a valence–electron molecular orbital theory based on model potentials

1972 • 10 citations

Quantum Chemistry

1972 • 2 citations