A b i n i t i o vertical spectra and linear bent correlation diagrams for the valence states of CO2 and its singly charged ions

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

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

1970 • 4,990 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

Approximate Self-Consistent Molecular-Orbital Theory. V. Intermediate Neglect of Differential Overlap

1967 • 1,483 citations

Electronic spectra and electronic structure of polyatomic molecules

1966 • 1,481 citations

Molecular Photoelectron Spectroscopy

1972 • 1,241 citations

Electronic spectoscopy of isoelectronic molecules. II. Linear triatomic groupings containing sixteen valence electrons

1971 • 528 citations

The electronic structure of nitrogen dioxide. I. Multiconfiguration self-consistent-field calculation of the low-lying electronic states

1975 • 263 citations

The quadrupole moment of the carbon dioxide molecule

1963 • 225 citations

Configuration interaction studies of O3 and O+3. Ground and excited states

1975 • 220 citations

Qualitative Aspects of Resonances in Electron—Atom and Electron—Molecule Scattering, Excitation, and Reactions

1966 • 142 citations

SCF a b-i n i t i o ground state energy surfaces for CO2 and CO2−

1975 • 133 citations

Multiconfiguration self-consistent-field calculation of the dipole moment function of CO(X 1Σ+)

1974 • 113 citations

Calculation of molecular ESCA spectra by the multiple-scattering-Xα method

1973 • 110 citations

Metastable anions of CO2

1972 • 106 citations

Theoretical Interpretation of the Electron Scattering Spectrum of CO2

1970 • 106 citations

Theoretical assignments of the low-lying electronic states of carbon dioxide

1973 • 104 citations

Molecular-Orbital Calculation of the Shape Resonance in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msubsup><mml:mrow><mml:mi mathvariant="normal">N</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow><mml:mrow><mml:mo>−</mml:mo></mml:mrow></mml:msubsup></mml:mrow></mml:math>

1970 • 98 citations

LCAO-MO-SCF Ground State Calculations on C2H2 and CO2

1960 • 93 citations

Study of the ground state potential curve and dipole moment of OH by the method of optimized valence configurations

1974 • 92 citations

Energy curves of CO−2

1972 • 86 citations

Multiconfiguration self-consistent-field calculation of the dipole moment function and potential curve of NO(X2Π)

1975 • 84 citations

Bound-State Calculation of Scattering Resonance Energies

1970 • 76 citations

Equations of motion method: Inelastic electron scattering for helium and CO2 in the Born approximation

1974 • 59 citations

Multiconfiguration self-consistent field (MCSCF) theory for excited states

1973 • 56 citations

Mechanism for production of the Fourth Positive Band System of CO by electron impact on CO₂

1971 • 50 citations

Study of Linear Stretch in Polyatomic Molecules: Accurate SCF MO Wavefunctions for CO2 and BeF2

1967 • 45 citations

An ICSCF investigation of Walsh's rules

1973 • 36 citations

Electron impact excitation and assignment of the low-lying electronic states of CO₂

1973 • 32 citations

Extended Basis-Set LCSTO—MO—SCF Calculations on the Ground State of Carbon Dioxide

1963 • 31 citations

Ab Initio calculation of the vibrational and electronic properties of carbon dioxide

1973 • 30 citations

Calculation of the Temperature Dependence for Absorption in CO₂in the 1750–1200 Å Region

1971 • 30 citations

Improved MCSCF dipole moment function for NO(X 2Π)

1975 • 23 citations