Remarks on the Description of Excited Electronic States by Configuration Interaction Theory and a Study of the (π → π*1) State of H2CO

Molecular Spectra and Molecular Structure

1979 • 15,902 citations

Nonempirical Calculations on Excited States: The Ethylene Molecule

1967 • 293 citations

Configuration Interaction Studies of Ground and Excited States of Polyatomic Molecules. I. The CI Formulation and Studies of Formaldehyde

1969 • 284 citations

Virtual Orbitals in Hartree–Fock Theory. II

1971 • 180 citations

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

1969 • 157 citations

Combined SCF and CI Method for the Calculation of Electronically Excited States of Molecules: Potential Curves for the Low-Lying States of Formaldehyde

1970 • 136 citations

Self-Consistent Molecular Orbital Methods. X. Molecular Orbital Studies of Excited States with Minimal and Extended Basis Sets

1971 • 130 citations

Photoionization and Absorption Spectrum of Formaldehyde in the Vacuum Ultraviolet

1971 • 120 citations

A new interpretation for the structure of the VN bands of ethylene

1971 • 120 citations

The theoretical description of the (ππ*) excited states of ethylene

1969 • 118 citations

Configuration Interaction Studies of Ground and Excited States of Polyatomic Molecules II. The Electronic States and Spectrum of Pyrazine

1971 • 112 citations

Assignment of the Ultraviolet Mystery Band of Olefins

1966 • 101 citations

Calculation of the electronic spectrum of formaldehyde

1971 • 101 citations

Energy Surface and Generalized Oscillator Strength of the 1A″ Rydberg State of H2O

1969 • 98 citations

The Far Ultraviolet Absorption Spectra of Formaldehyde and the Alkyl Derivatives of H2O and H2S

1935 • 94 citations

LCAO-SCF Computations for Ethylene

1968 • 93 citations

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

1971 • 90 citations

Assignments in the Ultraviolet Spectra of Olefins

1968 • 85 citations

Interpretation of Open-Shell SCF Calculations on the T and V States of Ethylene

1970 • 72 citations

The absorption spectrum of acetaldehyde in the vacuum ultra-violet

1946 • 46 citations

Calculation of Wavefunctions for the Excited States of Polyatomic Molecules

1970 • 39 citations

Correlations of electrons in small molecules

1964 • 39 citations

Formaldehyde Absorption Coefficients in the Vacuum Ultraviolet (650 to 1850 Angstroms)

1970 • 38 citations

Diffuse Orbitals in Lower States of the Oxygen Molecule

1971 • 36 citations

A comment on the V excited state of the ethylene molecule

1970 • 25 citations

Formaldehyde Molecule in a Gaussian Basis. One-Electron Properties

1968 • 19 citations

Correlation Effects on ππ* Transition Energies in the Series of Linear Polyenes. I. π Correlation Effects in the Minimal Basis Set

1970 • 10 citations

.sigma. and .pi. Electronic structures in the ground, triplet, and ionic states of ethylene

1970 • 7 citations