Perturbation corrections to Koopmans' theorem. I. Double-zeta Slater-type-orbital basis

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

1934 • 6,923 citations

Successive Approximations by the Rayleigh-Ritz Variation Method

1933 • 707 citations

Recent Developments in Perturbation Theory

1964 • 656 citations

A Guide to Feynman Diagrams in the Many-Body Problem

1969 • 567 citations

Direct calculation of ionization energies

1973 • 540 citations

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

1930 • 512 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

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

1972 • 336 citations

Superposition of Configurations and Natural Spin Orbitals. Applications to the He Problem

1959 • 305 citations

Approximate Atomic Wavefunctions

1971 • 287 citations

The spectrum and structure of singlet CH ₂

1966 • 278 citations

The electronic structures of methane, ethane, ethylene and formaldehyde studied by high-resolution molecular photoelectron spectroscopy

1968 • 230 citations

Computer Programs for Electronic Wave-Function Calculations

1963 • 217 citations

On the Structure of CH2 in its Triplet Ground State

1971 • 172 citations

Configuration-interaction study of atoms. I. Correlation energies of B, C, N, O, F, and Ne

1974 • 171 citations

On the breakdown of the Koopmans' theorem for nitrogen

1973 • 166 citations

One-Electron Properties of Near-Hartree–Fock Wavefunctions. II. HCHO, CO

1969 • 157 citations

Selection of the Proper Canonical Roothaan-Hartree-Fock Orbitals for Particular Applications. I. Theory

1972 • 155 citations

The use of Koopmans' Theorem in the interpretation of photoelectron spectra

1969 • 150 citations

Near Hartree-Fock Calculations on the Ground State of the Water Molecule: Energies, Ionization Potentials, Geometry, Force Constants, and One-Electron Properties

1972 • 145 citations

Calculation of the vertical ionization potentials of formaldehyde by means of perturbation theory

1971 • 115 citations

Hydrogen-Atom Polarizability as a Hartree–Fock Perturbation Expansion: A Geometric Approximation to Atomic Polarizabilities

1968 • 115 citations

Refinement of the Brillouin-Wigner Perturbation Method

1956 • 112 citations

Feenberg–Goldhammer Procedure and Geometric Approximation in Hartree–Fock Perturbation Theory

1970 • 93 citations

C 2υ Potential Energy Surfaces for Seven Low-Lying States of CH2

1971 • 88 citations

Invariance Property of the Brillouin-Wigner Perturbation Series

1956 • 83 citations

Ground (2A1) and first excited (2B1(II)) states of CH2+ and BH2

1971 • 80 citations

Approximate Wave Functions for the Ground State of Helium

1958 • 79 citations

Many-Body Theories of the Electronic Structure of Atoms and Molecules

1971 • 77 citations

Photoelectron Spectra of F2O and Cl2O

1971 • 75 citations

St�rungstheoretische Berechnung von Ionisierungsenergien und Elektronenaffinit�ten mit Hilfe der Greenschen Zweipunktfunktion

1972 • 66 citations

Molecular properties of the triatomic difluorides beryllium difluoride, boron difluoride, difluoromethylene, nitrogen difluoride and oxygen difluoride

1973 • 61 citations

Theoretical Interpretation of the Optical and Electron Scattering Spectra of Polyatomic Molecules. III. N2O and the Discovery of Resonant Phenomena in the B Region at 6.8 eV

1972 • 59 citations

Dispersion forces, second- and third-order energies

1968 • 57 citations

Analysis of Koopmans' Theorem

1968 • 50 citations

The geometric approximation of physical properties

1970 • 47 citations

Calculation of Wavefunctions for the Excited States of Polyatomic Molecules

1970 • 39 citations

Different Perturbed Uncoupled Hartree–Fock (PUCHF) Methods for Physical Properties. I. Theory and Dipole Polarizabilities

1971 • 32 citations

Examples of known SCF procedures which do not satisfy all necessary conditions for the energy to be stationary

1973 • 32 citations

Determination of ionization potentials from photoelectron spectra

1973 • 20 citations

Sources of error in open shell Hartree-Fock calculations

1971 • 16 citations

Ab initiocalculation of the first ionization potential in linear alkanes using exciton theory

1972 • 16 citations

Convergent S. C. F. Wave Function and Properties of the Ammonia Molecule

1965 • 16 citations

Computational study of vertical ionization potentials using the ΔINDO + FOCI method

1974 • 16 citations

A derivation of general open-shell SCF equations for atoms and molecules with a Green function method

1973 • 11 citations

Constrained variation method for excited-state energies of atoms and molecules

1973 • 9 citations

Perturbation Calculation of Atomic Polarizabilities

1971 • 9 citations

Use of Nonlinear Sequence-to-Sequence Transformations in High-Order Perturbation Theory Calculations

1971 • 7 citations

Sixteenth Spiers Memorial Lecture. Molecular ionization and molecular theory

1972 • 6 citations