On the electronic structure of the X, A, and B states of CaCl

Atomic energy levels

1965 • 5,224 citations

Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row Atoms

1970 • 3,336 citations

Improved a b i n i t i o effective core potentials for molecular calculations

1979 • 726 citations

Binding Energy and Dipole Moment of Alkali Halide Molecules

1951 • 605 citations

PNO–CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first-row and second-row diatomic hydrides

1975 • 529 citations

A b i n i t i o effective core potentials: Reduction of all-electron molecular structure calculations to calculations involving only valence electrons

1976 • 451 citations

Small Gaussian Expansions of Slater-Type Orbitals

1970 • 449 citations

Perturbation theory and ionic models for alkali halide systems. I Diatomics

1973 • 300 citations

The construction of modified virtual orbitals (MVO’s) which are suited for configuration interaction calculations

1980 • 202 citations

Radiative lifetimes of the alkaline earth monohalides

1974 • 180 citations

Effect of atomic reagent approach geometry on reactivity: Reactions of aligned Ca(1P1) with HCl, Cl2, and CCl4

1982 • 174 citations

Use of the state-averaged MCSCF procedure: application to radiative transitions in magnesium oxide

1982 • 134 citations

Inclusion of core-valence correlation effects in pseudopotential calculations. I. Alkali atoms and diatoms

1982 • 128 citations

Inclusion of core-valence correlation effects in pseudopotential calculations. II. K₂and KH lowest Σ⁺potential curves from valence-correlated wavefunctions

1983 • 90 citations

Precise determination of the v and N dependence of the spin-rotation and hyperfine interactions in the CaF ground state

1981 • 87 citations

Band strengths for electric dipole transitions from ab initio computation: Lio (X 2Π −X 2Π), (A 2Σ+−A 2Σ+), (X 2Π − A 2Σ+); AlO (X 2Σ+−X 2Σ+), (A 2Π −A 2Π), (X 2Σ+−A 2Π), (B 2Σ+−B 2Σ+), (X 2Σ+−B 2Σ+)

1973 • 84 citations

Effect of atomic reagent approach geometry on electronic state branching: The Ca(1P1) + HCl reaction

1981 • 82 citations

A b i n i t i o effective core potentials for molecular calculations. II. All-electron comparisons and modifications of the procedure

1978 • 79 citations

An ab initio study of core–valence correlation

1983 • 75 citations

The hyperfine structure of the calcium monohalides

1981 • 65 citations

Laser spectroscopy of CaBr: A2Π-X2Σ+ and B2Σ+-X2Σ+ systems

1981 • 63 citations

The dissociation energy of MgO

1982 • 63 citations

Ab initio dipole moment functions for the X 2Σ+ and B 2Σ+ states of AlO

1982 • 60 citations

Dipolar model for collisional energy transfer between dark and radiating excited electronic states: CaO(A′ 1Π, a 3Π) +N2O ⇄ CaO(A 1Σ+)+N2O

1982 • 60 citations

Vibration-rotation and deperturbation analysis of A2Π-X2Σ+ and B2Σ+-X2Σ+ systems of the CaI molecule

1981 • 59 citations

Luminescent reactive collisions between excited Ca atoms and HCl, Cl₂

1977 • 56 citations

Spectroscopic constants and the dipole moment functions for the 1Σ+ ground state of NaLi

1976 • 56 citations

State-to-state cross sections for the reactions of excited Ca atoms with HCl and Cl₂yielding CaCl(A, B)

1980 • 53 citations

High-resolution laser excitation spectroscopy

1977 • 52 citations

Electronic structure of CaO. I

1978 • 50 citations

On the reaction Mg+N2O→MgO+N2

1983 • 47 citations

The rotational spectrum of the X2Σ+ state of the Ca35Cl radical using laser microwave optical double resonance

1977 • 45 citations

Crossed-beám chemiluminescence. II. Kinetics and mechanisms for reactions of group IIA Metals in ground and metastable states with fluorine

1979 • 43 citations

Theoretical Study of the Low-Lying Electronic States of CaH

1981 • 40 citations

Laser Spectroscopic Investigations of CaCl

1980 • 39 citations

A study of the A 2Π-X2Σ+ system of CaCl by saturation spectroscopy

1978 • 39 citations

Hyperfine structure of the X 2Σ+ ground state of Ca 35Cl and Ca 37Cl by molecular-beam, laser-rf double resonance

1982 • 38 citations

Hyperfine and spin–rotational structure of CaBr X 2Σ (v = 0) by molecular-beam laser-rf double resonance

1981 • 37 citations

Laser Spectroscopic Investigations of CaCl. II. Rotational Analysis of the B²Σ- X²Σ Transitions

1980 • 36 citations

On the low-lying states of MgO. II

1981 • 33 citations

Crossed-beam chemiluminescence. 1. MF dissociation energies from reactions of metastable group IIA metals with fluorine

1979 • 32 citations

The electronic structure of CaO. II. An MCSCF/CI treatment of the low-lying 1Σ+ and 1Π states

1982 • 30 citations

Ab initio study of CaO. The importance of atomic correlation and a bondlength question

1980 • 28 citations

Polarization Effects in Gaseous Calcium Chloride

1981 • 24 citations

The orange arc bands of CaO. Analysis of a D,d 1,3Δ–a 3Π system

1982 • 23 citations

Electric deflection study of CaCl: Estimate of the ground-state dipole moment

1982 • 20 citations