Configuration interaction studies of the excited states of water

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

1970 • 4,990 citations

Water: A Comprehensive Treatise

1979 • 4,040 citations

Equations-of-Motion Method and the Extended Shell Model

1968 • 1,059 citations

Excited States of H2O using improved virtual orbitals

1969 • 599 citations

High-Resolution Study of Electron-Impact Spectra at Kinetic Energies between 33 and 100 eV and Scattering Angles to 16°

1968 • 466 citations

``Multiple-Scattering'' Model for Polyatomic Molecules

1966 • 427 citations

Self-Consistent Procedures for Generalized Valence Bond Wavefunctions. Applications H3, BH, H2O, C2H6, and O2

1972 • 376 citations

Collective oscillation in liquid water

1974 • 317 citations

Chemical Bonding of a Molecular Transition-Metal Ion in a Crystalline Environment

1972 • 305 citations

Methods for Calculating Ground-State Correlations of Vibrational Nuclei

1968 • 193 citations

The Rydberg Nature And Assignments Of Excited States Of The Water Molecule

1974 • 176 citations

Absorption and Photoionization Cross Sections of H2O and H2S

1964 • 171 citations

Electronic Structures of Polyatomic Molecules. VII. Ammonia and Water Type Molecules and Their Derivatives

1935 • 162 citations

Theoretical Interpretation of the Optical and Electron Scattering Spectra of H2O

1971 • 161 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

The Far Ultraviolet Absorption Spectra and Ionization Potentials of H2O and H2S

1936 • 145 citations

Calculations on the electronic spectrum of water

1974 • 144 citations

ON THE ABSORPTION SPECTRUM OF H₂O AND D₂O IN THE VACUUM ULTRAVIOLET

1963 • 137 citations

Excitation and Negative Ions in H2O

1960 • 115 citations

Zero-Point Vibrational Corrections to One-Electron Properties of the Water Molecule in the Near-Hartree—Fock Limit

1971 • 109 citations

Electron impact excitation of H2O

1973 • 106 citations

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

1969 • 98 citations

The spectra of H2O and D2O in the vacuum ultraviolet

1965 • 90 citations

Assignments in the electronic spectrum of water

1974 • 84 citations

Group theoretical selection rules for electron-impact spectroscopy

1971 • 75 citations

Triplet excitation of water and methanol by low-energy electron-impact spectroscopy

1972 • 70 citations

Ab Initio Calculation of Some Lower-Lying Excited States of H2O

1969 • 65 citations

Dissociative electron attachment in H₂O and D₂O: energy and angular distribution of H^-and D^-fragments

1974 • 61 citations

SCF calculations of the electronic structures of the sulfate and perchlorate ions by the scattered-wave model

1970 • 60 citations

The incorporation of quadratic convergence into open-shell self-consistent field equations

1970 • 57 citations

Multiconfiguration Wavefunctions for the Water Molecule

1971 • 57 citations

Excitation by Electron Impact of Vibrational Transitions in Water and Carbon Dioxide at Kinetic Energies between 30 and 60 eV

1968 • 53 citations

Comparison of slater and contracted gaussian basis sets in SCF and CI calculations on H2O

1970 • 50 citations

Detection and Identification of Triplet States of H2O by Electron Impact

1971 • 47 citations

MC SCF calculations on the lowest triplet state of H2O

1973 • 36 citations

The lowest singlet and triplet potential surfaces of H2O

1970 • 29 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

Comparison of INDO [intermediate neglect of differential overlap] and ab initio methods for the correlated wave functions of the ground and excited states of ozone

1974 • 18 citations

Negative ion contamination of electron impact spectra

1974 • 16 citations

Rydberg states in H2O

1973 • 15 citations