Ground-state properties of alkali dimers and their cations (including the elements Li, Na, and K) from a b i n i t i o calculations with effective core polarization potentials

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

1970 • 20,717 citations

Molecular Spectra and Molecular Structure

1979 • 15,902 citations

A proper account of core-polarization with pseudopotentials: single valence-electron alkali compounds

1982 • 957 citations

Treatment of intershell correlation effects in a b i n i t i o calculations by use of core polarization potentials. Method and application to alkali and alkaline earth atoms

1984 • 653 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

Theory of self-consistent electron pairs. An iterative method for correlated many-electron wavefunctions

1976 • 352 citations

An analysis of the B 1Πu–X 1∑+g band system of Na2

1978 • 295 citations

Pseudopotential calculations on Rb+2, Cs+2, RbH+, CsH+ and the mixed alkali dimer ions

1982 • 268 citations

The B1Πu–X1Σg+ band system of the 7Li2 molecule

1979 • 196 citations

A constructive model potential method for atomic interactions

1974 • 180 citations

The molecular electronic structure of the lowest 1Σ+g, 3Σ+u, 1Σ+u, 3Σ+g, 1Πu, 1Πg, 3Πu, and 3Πg states of Na2

1980 • 170 citations

Two-step polarization-labeling spectroscopy of excited states of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Na</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

1981 • 138 citations

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

1982 • 128 citations

Rydberg states of 7Li2 by pulsed optical–optical double resonance spectroscopy: Molecular constants of 7Li2+

1983 • 119 citations

The electronic structure and spectra of the X 1Σ+g and A 1Σ+u states of Li2

1979 • 118 citations

Pseudopotential calculations for Na2+, Na and Na2−

1976 • 106 citations

MCSCF–CI calculations of the ground state potential curves of LiH, Li2, and F2

1981 • 106 citations

Electric Dipole Moment of Diatomic Molecules by Configuration Interaction. I. Closed-Shell Molecules

1971 • 102 citations

Theoretical transition dipole moments and lifetimes for the A 1Σ+u→X Σ+g system of Na2

1977 • 99 citations

Autoionizing rydberg states of the Na2 molecule

1982 • 94 citations

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

1983 • 90 citations

Laser-induced molecular fluorescence in supersonic nozzle beams: Applications to the NaK D 1Π å X 1Σ+ and D 1Π å a3Σ+ systems

1978 • 90 citations

Theoretical Study of the Σ+1, 3Σ+, 3Π, 1Π States of NaLi and the Σ+2 State of NaLi+

1970 • 90 citations

Pseudo-potential calculation of atomic interactions

1970 • 88 citations

Theory of One-Electron Molecules. I.<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi mathvariant="normal">Li</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow><mml:mrow /><mml:mrow /><mml:mrow><mml:mo>+</mml:mo></mml:mrow><mml:mprescripts /></mml:mmultiscripts></mml:mrow></mml:math>

1971 • 86 citations

Sub-Doppler laser spectroscopy of the NaK molecule

1979 • 86 citations

The a 3Σ+ state of NaK. High resolution spectroscopy using laser-induced fluorescence (LIF)

1979 • 84 citations

K2 rydberg state analysis by two-and three-photon ionization

1983 • 83 citations

An ab initio study of core–valence correlation

1983 • 75 citations

The adiabatic ionization potentials of the alkali dimers Na2, NaK and K2

1981 • 74 citations

Combination of pseudopotentials and density functionals

1981 • 74 citations

Isotope selective two-step photoionization study of K2 in a supersonic molecular beam

1980 • 72 citations

Molecular Beam Electric Deflection and Resonance Spectroscopy of the Heteronuclear Alkali Dimers: 39K7Li, Rb7Li, 39K23Na, Rb23Na, and 133Cs23Na

1972 • 71 citations

Theoretical study of the lowest potential curves of NaK

1983 • 71 citations

Potential curves and molecular properties of Na2+

1976 • 70 citations

MCSCF pseudopotential calculations for the alkali hydrides and their anions

1981 • 66 citations

Potential energy curves for Li2

1977 • 65 citations

New laser-induced fluorescence Fourier transform spectrometry: The 7Li2 ground-state dissociation limit

1983 • 64 citations

Laser induced fluorescence spectroscopy of NaLi in beam and bulk

1982 • 63 citations

Potential curve of the lowest triplet state of Li2

1972 • 61 citations

Alkali dimers ground-state calculations using pseudopotentials

1981 • 60 citations

Observation of levels near dissociation in the X 1Σ+g state of 7Li2

1983 • 59 citations

Alkali molecular ion energies and expectation values in a model-potential treatment

1974 • 58 citations

Ab initio calculations of the electronic structure and the vibrational spectra of the X 2Σ+g, 2Σ+u, A 2Πu and 2Πg states of Li+2

1979 • 57 citations

Investigation of alkali-metal clusters with pseudopotential multireference double-excitation configuration interaction method

1982 • 56 citations

Theoretical ground state and excited state potential energy curves for alkali diatomic molecules

1972 • 56 citations

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

1976 • 56 citations

Theoretical study of the litium dimer and its anion

1983 • 56 citations

Identification of Rydberg States in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Na</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>by Two-Step Polarization Labeling

1980 • 53 citations

Model potential calculations of potential energies of excited states of Li+2

1975 • 51 citations

Microwave optical double resonance of X 1Σ+ of NaK

1981 • 51 citations

Accurate ionization potential of Li2 from resonant two-photon ionization

1982 • 48 citations

Oscillator strengths and photodissociation cross sections for Li2+ and Na2+

1976 • 48 citations

Nonadiabatic transitions in diatoms with one valence electron: Calculations of potential curves and differential cross sections for Li+ + Na

1975 • 45 citations

A mass spectrometric study of heteronuclear diatomic alkali metal molecules. Dissociation energies and ionization potentials of NaLi, KLi, and NaK.

1977 • 45 citations

Simulation of the influence of the core electrons by a pseudopotential I. atoms with one and two valence electrons

1968 • 43 citations

Autoionization spectra of Li2 and the X2Σ+g ground state of Li+2: Experimental and theoretical investigations

1983 • 43 citations

Pseudopotential calculations of alkali interactions

1970 • 39 citations

Electric Resonance Spectrum of NaLi

1972 • 38 citations

The molecular electronic structure of the lowest^1,3Σ_g,u⁺states of Na₂and K₂

1982 • 37 citations

Model potential calculations for ground and excited states of LiNa

1977 • 37 citations

Hartree—Fock potential energy curves, spectroscopic constants, and 1-electron properties for the lowest ∑2g+ and 2Πu states of Li2+

1973 • 36 citations

Autoionizing Rydberg states in Na2

1982 • 36 citations

Potential curves of alkali diatomic molecules and the origins of bonding anomalies

1970 • 35 citations

AB initio and pseudopotential energy curves for NaK

1978 • 33 citations

Excited states of Li2+

1976 • 30 citations

Valence Electron Studies with Gaussian-Based Model Potentials and Gaussian Basis Functions. II. Discussion of the One-Valence-Electron Molecular Theory and Applications to Li2+, Na2+, and LiH+

1972 • 29 citations

Na2(A 1Σ+u→X 1Σ+g) fluorescence accompanied by a continuous spectrum

1982 • 27 citations

Potential curves for the alkali dimers and their cations: A new spectroscopic rule and its predictions

1982 • 26 citations

Rydberg states of Li2 and molecular constants of Li+2

1982 • 23 citations

New observations and analyses of the laser excited fluorescence of the A1Σu+-X1Σg+ bands of the Na2 molecule

1981 • 23 citations

Two-centre model potential energy calculations for the 2Σ and 2Π states of Li+2, Na+2, K+2, Rb+2 and Cs+2

1979 • 22 citations

Pseudopotential spin-density functional calculation of the ground state properties of Na2 and Na2+

1980 • 21 citations

New observations and mass-reduced analyses of the laser-excited fluorescence of the B1Πu-X1Σg+ bands of the 6Li7Li molecule

1981 • 19 citations

Pseudo potential calculations for Na+2, K+2, Rb+2 and Cs+2

1976 • 17 citations

Molecular properties of Li2+ from model potential calculations

1975 • 15 citations

An extended geminal model calculation of the dissociation energy of the ground state of Li2

1982 • 11 citations