The calculation of valence shell ionization potentials by the ΔSCF method

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

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Atomic Screening Constants from SCF Functions

1963 • 2,375 citations

Gaussian Basis Functions for Use in Molecular Calculations. III. Contraction of (10s6p) Atomic Basis Sets for the First-Row Atoms

1971 • 2,165 citations

Self-Consistent-Field Wave Functions for Hole States of Some Ne-Like and Ar-Like Ions

1965 • 699 citations

Electronic Structure of Diatomic Molecules. VI.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the First-Row Hydrides, AH

1967 • 645 citations

A Discussion on photoelectron spectroscopy - Molecular photoelectron spectroscopy

1970 • 592 citations

Numerische Berechnung der 2S-Terme von Ortho- und Par-Helium

1930 • 512 citations

Perfluoro effect in photoelectron spectroscopy. II. Aromatic molecules

1972 • 499 citations

Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(X1Σg+) and N2+(X2Σg+, A2Πu, B2Σu+) Molecular Ions

1966 • 459 citations

Perfluoro effect in photoelectron spectroscopy. I. Nonaromatic molecules

1972 • 397 citations

Gaussian Basis Functions for Use in Molecular Calculations. IV. The Representation of Polarization Functions for the First Row Atoms and Hydrogen

1971 • 356 citations

A “Level–Shifting” method for converging closed shell Hartree–Fock wave functions

1973 • 355 citations

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

1972 • 336 citations

One-Electron Properties of Near-Hartree–Fock Wavefunctions. I. Water

1968 • 291 citations

Photoelectron Spectra of Methane, Silane, Germane, Methyl Fluoride, Difluoromethane, and Trifluoromethane

1970 • 231 citations

On methods for converging open-shell Hartree-Fock wave-functions

1974 • 208 citations

Properties of atoms in molecules. I. Proposed definition of the charge on an atom in a molecule

1970 • 168 citations

On the breakdown of the Koopmans' theorem for nitrogen

1973 • 166 citations

Photoelectron spectra and ionic structure of carbon dioxide, carbon disulphide and sulphur dioxide

1968 • 160 citations

Franck—Condon Factors in Ionization: Experimental Measurement Using Molecular Photoelectron Spectroscopy

1966 • 148 citations

Ground state self-consistent-field wave functions and molecular properties for the isoelectronic series SiH4, PH3, H2S, and HCl

1970 • 141 citations

Photoelectron spectroscopy of simple amides and carboxylic acids

1969 • 106 citations

Ab initiocalculations of transition metal complexes

1974 • 94 citations

Theoretical Study of SO2 Molecular Properties

1970 • 90 citations

Direct calculation of binding energies of inner-shell electrons in molecules

1970 • 89 citations

Methane as a Numerical Experiment for Polarization Basis Function Selection

1971 • 79 citations

Photoelectron spectroscopy and the geometry of the phosphine and phosphorous trifluoride molecular ions

1972 • 67 citations

The assignment of the photoelectron spectrum of sulphur dioxide

1973 • 66 citations

Ionization and dissociation energies of HF and DF and their bearing on Do0 (F2)

1970 • 62 citations

Atomic electron populations by molecular orbital theory

1968 • 54 citations

Photoelectron spectrum of bis-(π-allyl)nickel

1973 • 51 citations

Ionic states and photon impact-enhanced vibrational excitation in diatomic molecules by photoelectron spectroscopy. Photoelectron spectra of N2, CO and O2

1969 • 50 citations

Simple Basis Set for Molecular Wavefunctions Containing First-and Second-Row Atoms

1970 • 44 citations

X-Ray Photoelectron Spectroscopy of Carbon Monoxide

1970 • 43 citations

Photoelectron spectra of carbonyl halides and related compounds

1972 • 29 citations

Theoretical study of the electronic structure of sulphur dioxide

1970 • 19 citations

A priori calculation of the 1s and 2s hole states in neon

1971 • 18 citations