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

Spectra of diatomic molecules

1950 • 5,975 citations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

The Energy Levels of a Rotating Vibrator

1932 • 1,857 citations

An improved eigenvalue corrector formula for solving the Schrödinger equation for central fields

1961 • 1,079 citations

PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane

1973 • 988 citations

Electronic Structure of Diatomic Molecules. VI.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the First-Row Hydrides, AH

1967 • 645 citations

Dissociation energies and spectra of diatomic molecules

1953 • 620 citations

Gaussian basis set for molecular wavefunctions containing second-row atoms

1968 • 482 citations

Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree-Fock density and its application to the hydrides of the second row atoms

1974 • 436 citations

Studies in Configuration Interaction: The First-Row Diatomic Hydrides

1969 • 395 citations

Dipole Moment and Hyperfine Parameters of H35Cl and D35Cl

1970 • 374 citations

LiH Potential Curves and Wavefunctions for X 1Σ+, A 1Σ+, B 1Π, 3Σ+, and Π3

1972 • 361 citations

Hyperfine Structure Constants of HF and DF

1970 • 324 citations

Calculated vibrational transition probabilities of OH(X2Π)

1974 • 287 citations

New spectra of the CH molecule

1969 • 244 citations

Atomic Bethe-Goldstone Equations. III. Correlation Energies of Ground States of Be, B, C, N, O, F, and Ne

1968 • 210 citations

PNO-CI and CEPA studies of electron correlation effects

1974 • 188 citations

Electronic Structure of Diatomic Molecules. VII.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the Second-Row Hydrides, AH

1967 • 173 citations

Preliminary Values of Some Molecular Constants of Lithium Hydride

1962 • 161 citations

Spectroscopy of Fluorine Flames. I. Hydrogen-Fluorine Flame and the Vibration-Rotation Emission Spectrum of HF

1961 • 136 citations

Molecular constants of HCl35

1965 • 127 citations

Valence excited states of CH. I. Potential curves

1973 • 125 citations

On the spectrum of BH in the near ultraviolet

1967 • 120 citations

Electric Dipole Moment for First- and Second-Row Diatomic Hydride Molecules, AH

1966 • 110 citations

Vibration rotation bands of heated hydrogen halides

1968 • 105 citations

LiH Properties, Rotation-Vibrational Analysis, and Transition Moments for X 1Σ+, A 1Σ+, B 1Π, 3Σ+, and Π3

1972 • 104 citations

Theoretical Potential Energy Curves for OH, HF+, HF, HF−, NeH+, and NeH

1972 • 100 citations

Infrared Emission of OH in the Fundamental and First Overtone Bands

1971 • 99 citations

A method for calculating vibrational transition probabilities

1963 • 98 citations

Theoretical Study of the LiH Molecule

1968 • 92 citations

Electric dipole moments of open-shell diatomic molecules

1971 • 89 citations

Electron Correlation and Separated Pair Approximation in Diatomic Molecules. II. Lithium Hydride and Boron Hydride

1970 • 88 citations

Experimental Determination of the Electric Dipole Moment of the Ground Electronic State of CH

1966 • 82 citations

Accurate ab initio calculation of the BeH molecule. I. The X 2Σ+ and A 2Π states

1973 • 77 citations

Ab initio study of the X2Π and A2Σ+ states of OH. I. Potential curves and properties

1974 • 77 citations

Ab initio calculations on small hydrides including electron correlation

1973 • 74 citations

Electric dipole moments of OH and OD by molecular beam electric resonance

1973 • 73 citations

The Band Spectra of the Hydrides of Lithium

1935 • 68 citations

Theoretical Study of the BeH Molecule

1968 • 61 citations

Electron Correlation and Separated Pair Approximation in Diatomic Molecules. III. Imidogen

1970 • 59 citations

The orbital description of the potential energy curves and properties of the lower excited states of the BH molecule

1974 • 56 citations

Theoretical Study of the MgH Molecule

1970 • 55 citations

Eine Untersuchung �ber die Bandenspektra des Aluminiumhydrides und Aluminiumdeutrides

1934 • 55 citations

Chemical excitation of the A2Σ+-X2Π system of SH and SD

1969 • 54 citations

Natural-Orbital Valence-Shell CI Studies of Diatomic Molecules. I. Potential-Energy Curves and Spectra of Imidogen

1970 • 50 citations

Theoretical Description of Molecular Rydberg States: B Σ+1 and Lowest Σ+3 States of BH

1971 • 50 citations

Valence excited states of CH. II. Properties

1973 • 48 citations

Strengths and Collision Broadened Widths in the Second Overtone Band of Hydrogen Fluoride

1972 • 45 citations

The electronic structure and molecular properties of boron hydride in its ground and excited states

1969 • 44 citations

An experimental determination of the dipole moments of the X(¹Σ) and A(¹Π) states of the BH molecule

1969 • 43 citations

Theoretical Electronic Transition Probabilities in Diatomic Molecules. III BeH and MgH (A 2Π–X 2Σ+) Systems

1971 • 42 citations

Configuration Interaction Study of the X 3Σ−, a 1Δ, and b 1Σ+ States of NH

1971 • 42 citations

Study of the theoretical dipole moment function and infrared transition matrix for the X 1Σ+ state of the HF molecule

1974 • 38 citations

The A²Π ‐ X²Σ⁺ band system of BeH and BeD in absorption

1972 • 36 citations

Atomic Bethe-Goldstone Equations. IV. Valence-Shell Correlation Energies of Ground States of Na, Mg, Al, Si, P, S, Cl, and Ar

1971 • 35 citations

Das Absorptionsspektrum des NaD

1935 • 35 citations

Neue Untersuchungen �ber das Bandenspektrum des Magnesiumhydrids

1937 • 30 citations

Ab initio calculations of small hydrides including electron correlation

1971 • 28 citations

N° 3. — Contribution à l'étude spectroscopique de la transition A(³H_i) — X(³Σ^-) du radical NH₃

1970 • 27 citations

Combined SCF and CI calculations of the spectrum of SiH

1971 • 26 citations

Ab initio study of the NH radical

1974 • 24 citations

Ab initio determination of the dissociation energy of the X3Σ− state of imidogen

1973 • 23 citations

The ionization potential of the BeH molecule

1974 • 22 citations

A new double minimum problem: The B1Σ+ state of BH

1970 • 22 citations

Generalized Bethe-Goldstone calculations on molecules

1972 • 20 citations

The λ3400 bands of PH and PD

1939 • 18 citations

Orbital Description of the Excited States of LiH

1972 • 15 citations

Calculation of the electric dipole moment of some diatomic molecule hydrides

1968 • 10 citations

Regularities in calculated dipole moment derivatives of first row diatomic hydrides

1974 • 8 citations

On the T_e Values for the A²II X² State of MgH and MgD Bands

1962 • 7 citations