Theoretical study of the N+2 molecular ion

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

1970 • 4,990 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 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

�ber quantentheoretische Umdeutung kinematischer und mechanischer Beziehungen.

1925 • 1,123 citations

An improved eigenvalue corrector formula for solving the Schrödinger equation for central fields

1961 • 1,079 citations

Equations-of-Motion Method and the Extended Shell Model

1968 • 1,059 citations

PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane

1973 • 988 citations

Recent Developments in Perturbation Theory

1964 • 656 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

Direct calculation of ionization potentials of closed-shell atoms and molecules

1973 • 321 citations

PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. I. Outline of the method for closed-shell states

1975 • 309 citations

Nonempirical Calculations on Excited States: The Ethylene Molecule

1967 • 293 citations

Theory of electron affinities of small molecules

1973 • 285 citations

Higher Random-Phase Approximation as an Approximation to the Equations of Motion

1970 • 225 citations

Improved calculations of ionization potentials of closed-shell molecules

1973 • 177 citations

On the breakdown of the Koopmans' theorem for nitrogen

1973 • 166 citations

Correlation Effects in Atomic Structure Using the Random-Phase Approximation

1964 • 148 citations

Application of the equations-of-motion method to the excited states of N2, CO, and C2H4

1973 • 143 citations

Equations-of-motion method including renormalization and double-excitation mixing

1973 • 134 citations

Configuration interaction studies of bound, low-lying states of N₂^-, N₂, N₂⁺and N₂²⁺

1975 • 131 citations

Nonempirical Calculations on Excited States: The Formaldehyde Molecule

1968 • 130 citations

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

1974 • 126 citations

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

1971 • 115 citations

The electronic structure of molecules by a many-body approach

1975 • 113 citations

Distributions in Energy and Angle of Electrons Ejected from Molecular Nitrogen by 0.3- to 1.7-MeV Protons

1971 • 104 citations

Application of the RPA and Higher RPA to the V and T States of Ethylene

1971 • 90 citations

Perturbation corrections to Koopmans' theorem. II. A study of basis set variation

1974 • 82 citations

Application of a Higher RPA to a Model π-Electron System

1970 • 66 citations

Theoretical studies of molecular ions. Vertical ionization potentials of the nitrogen molecule

1974 • 64 citations

The self-consistent random phase approximation

1971 • 64 citations

Theoretical studies of molecular ions. The ionization potential and electron affinity of BH

1975 • 59 citations

A comment on a theory of electron affinities

1975 • 52 citations

Theoretical studies of molecular ions. Vertical ionization potentials of hydrogen fluoride

1974 • 51 citations

Theoretical predictions of stable negative ions: HF−, LiH−, NaH−

1975 • 49 citations

Direct calculation of ionization potentials of atoms and molecules: application to Ne

1974 • 49 citations

Theoretical studies of molecular ions: BeH−

1975 • 47 citations

Theoretical studies of molecular ions. Vertical detachment energy of OH−

1974 • 46 citations

Comparison of the use of 3d polarization functions and bond functions in Gaussian Hartree-Fock calculations

1973 • 36 citations

The vertical ionization potentials of hypofluorous acid as calculated by perturbation corrections to koopmans' theorem

1974 • 34 citations

Comparative Study of the Random-Phase Approximation, Hartree-Fock and Single Excited Configuration-Interaction Methods of Computing Excitation Properties of Some Molecules

1972 • 21 citations

Theory of the (e, 2e) reaction on molecules. II

1975 • 21 citations

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

1974 • 16 citations

Quantum‐mechanical treatment of molecules. I. Calculations of the potential energy curves and molecular constants of the ground and ionized states of N₂

1967 • 15 citations

Molecules in electric fields

1974 • 14 citations

Direct analytical calculation of first-order density matrix elements through third order

1973 • 12 citations