Semidiffuse states of diatomic molecules: Configuration interaction studies of the lowest ²Σ⁺ and ²Δ states of NS, SiF, and CCl

Molecular Spectra and Molecular Structure

1979 • 15,902 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

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Individualized configuration selection in CI calculations with subsequent energy extrapolation

1974 • 1,246 citations

Applicability of the multi-reference double-excitation CI (MRD-CI) method to the calculation of electronic wavefunctions and comparison with related techniques

1978 • 1,007 citations

Energy extrapolation in CI calculations

1975 • 1,001 citations

Approximate Atomic Wavefunctions

1971 • 287 citations

The Rydberg States of Molecules. VI. Potential Curves and Dissociation Behavior of (Rydberg and Other) Diatomic States¹

1966 • 186 citations

PNO–CI (pair natural-orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. III. The molecules MgH2, AlH3, SiH4, PH3 (planar and pyramidal), H2S, HCl, and the Ar atom

1975 • 134 citations

studies in physical and theoretical chemistry

1998 • 83 citations

Ab initio configuration interaction calculations for the electronic spectrum of hydrogen sulfide

1976 • 73 citations

Mixed valence—Rydberg states

1975 • 65 citations

The Band Spectrum of Silicon Monofluoride, SiF

1958 • 60 citations

Rotational structure of the band spectrum of CCl molecule

1961 • 53 citations

THE EMISSION SPECTRUM OF THE CCI RADICAL

1961 • 39 citations

Studies in electron impact methods. Part 2.—The latent heat of sublimation of carbon

1958 • 39 citations

Theoretical studies on low-lying valence states of NS, SiF, and CCl

1976 • 33 citations

Etats de valence de NS dans le domaine 2250–3800 Å

1973 • 32 citations

Configuration interaction studies of low-lying valence and Rydberg states of NS

1985 • 26 citations

Configuration interaction studies on low-lying valence and Rydberg states of PO

1983 • 25 citations

Low-lying valence states of the PO molecule according to configuration-interaction calculations

1973 • 24 citations

Low-lying valence and Rydberg states of nitric oxide NO. Configuration interaction studies

1982 • 24 citations

The Structure of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>β</mml:mi></mml:math>Band Systems of SiF

1937 • 20 citations

Rotational analysis of the $\gamma$ bands of SiF

1968 • 19 citations

A new electronic transition in NS

1975 • 18 citations

Rydberg states of SiF between 42000 and 50000 cm^-1

1982 • 17 citations

Rydberg states of SiF in the vacuum ultraviolet

1982 • 15 citations

Rydberg states of SiBr

1984 • 15 citations

New analysis of the B-X and C-X systems of SiF

1980 • 12 citations

The B′2Σ+ state of NS

1976 • 12 citations

The lowest excited states of BH

2009 • 11 citations

Etats Rydberg de NS. Etude du domaine spectral 2400–1750 Å

1976 • 11 citations

New absorption systems of the CCl and CBr radicals

1970 • 10 citations

Evidence for predissociation in the C 2Σ+ state of NS

1975 • 10 citations

Rotational analysis of the D-X transition in SiF

1979 • 10 citations

Spectrum of NS: Perturbations in the transitions and constants of the B′2Σ+ state

1978 • 6 citations

Concerning the Vibrational Constants and Dissociation Energy of the CCl Molecule

1965 • 5 citations