SCF and CI calculations of the one-electron properties, polarizabilities and polarizability derivatives of the nitrogen molecule

Gaussian Basis Functions for Use in Molecular Calculations. III. Contraction of (10s6p) Atomic Basis Sets for the First-Row Atoms

1971 • 2,165 citations

Electric Dipole Polarizability of Atoms by the Hartree—Fock Method. I. Theory for Closed-Shell Systems

1965 • 740 citations

Nuclear Quadrupole Coupling Constants

1971 • 728 citations

Nuclear Quadrupole Coupling Constants

1970 • 687 citations

PNO-CI and PNO-CEPA studies of electron correlation effects

1976 • 635 citations

A new method for large-scale Cl calculations

1972 • 507 citations

Polarizability of the Hydrogen Molecule

1967 • 504 citations

Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(X1Σg+) and N2+(X2Σg+, A2Πu, B2Σu+) Molecular Ions

1966 • 459 citations

Small Gaussian Expansions of Slater-Type Orbitals

1970 • 449 citations

Quadrupole moments of some simple molecules

1968 • 426 citations

Gaussian Basis Functions for Use in Molecular Calculations. IV. The Representation of Polarization Functions for the First Row Atoms and Hydrogen

1971 • 356 citations

Solid and liquid nitrogen

1976 • 352 citations

Measurement of the dispersion in polarizability anisotropies

1975 • 345 citations

Electronic Structure of N2, CO, and BF

1964 • 286 citations

Direct Method of Measuring Molecular Quadrupole Moments

1959 • 234 citations

The rotational and rotation‐vibrational Raman spectra of ¹⁴N₂, ¹⁴N¹⁵N and ¹⁵N₂

1974 • 209 citations

Temperature-Dependent Chemical Shifts in the NMR Spectra of Gases

1962 • 208 citations

The quadrupole moments of dipolar molecules

1968 • 195 citations

Induced infra-red absorption in gases

1958 • 171 citations

An accurateab initiostudy of the multipole moments and polarizabilities of methane

1979 • 136 citations

Absolute Determination of Refractive Indices of Gases at 47.7 Gigahertz

1965 • 131 citations

Finite-field method calculations. IV. Higher-order moments, dipole moment gradients, polarisability gradients and field-induced shifts in molecular properties: Application to N2, CO, CN−, HCN and HNC

1978 • 128 citations

Configuration interaction calculations for the N2 molecule and its three lowest dissociation limits

1977 • 118 citations

DETERMINATION OF RATES OF CHANGE OF POLARIZABILITY FROM RAMAN AND RAYLEIGH INTENSITIES

1953 • 112 citations

Annual reports on NMR spectroscopy

1971 • 111 citations

Magnetic birefringence of some diamagnetic gases

1967 • 107 citations

Influence of the potential function on the determination of multipole moments from pressure-induced far-infrared spectra

1977 • 97 citations

Polarizability of Interacting Atoms: Relation to Collision-Induced Light Scattering and Dielectric Models

1973 • 90 citations

Collision-induced polarizabilities of inert gas atoms

1978 • 88 citations

Molecular Beams

1956 • 87 citations

A calculation of the helium pair polarizability including correlation effects

1978 • 81 citations

Long-Range Polarizability of the Helium Diatom

1971 • 78 citations

Determination of molecular multipole moments and potential function parameters of non-polar molecules from far infra-red spectra

1976 • 71 citations

Numerical Hartree–Fock calculations for N2, FH, and CO: Comparison with optimized LCAO results

1977 • 70 citations

Quadrupole moment of CO, N2, and NO+

1974 • 69 citations

Molecular-Beam Magnetic-Resonance Studies of the Nitrogen Molecule

1964 • 67 citations

MCSCF calculations of the properties of hydrogen fluoride

1978 • 66 citations

Generalized valence bond calculations on the ground state (X 1Σ+g) of nitrogen

1976 • 63 citations

Magnetic Properties of AlH and N2 from Coupled Hartree–Fock Theory

1971 • 63 citations

Finite-field method calculations. III. Dipole moment gradients, polarisability gradients and field-induced shifts in bond lengths, vibrational levels,

1977 • 57 citations

INDUCED INFRARED ABSORPTION OF NITROGEN AND NITROGEN – FOREIGN GAS MIXTURES

1965 • 55 citations

Dielectric properties of helium: The polarizability of diatomic helium

1974 • 54 citations

Electron scattering by nitrogen molecules: Theory and application to elastic scattering and rotational excitation at 30–75 eV

1976 • 53 citations

Validity of the multipole results for first-order molecule-molecule interaction energies.

1977 • 51 citations

Comparison of multipole moment expansions by direct summation or finite-field SCF methods with full electrostatic interaction energies: Application to CO and N2

1978 • 49 citations

Raman intensities and bond orders—A simplified delta function equation

1977 • 45 citations

Ab initio static polarisabilities of N₂and linear symmetric CO₂in the Hartree-Fock approximation: variation with internuclear separation

1977 • 43 citations

The birefringence induced in spherical molecules by an electric field gradient

1971 • 39 citations

Determination of the pair polarizability tensor for the Ne diatom

1977 • 37 citations

Calculs de polarisabilités atomiques et moléculaires

1974 • 34 citations

Electric and magnetic properties of N2 and H2O by the equations-of-motion method

1977 • 33 citations

The polarisability of LiCl as a function of bond distance

1977 • 28 citations

Determination of the quadrupole moment of N2 from induced absorption in the far infrared

1963 • 25 citations

Internuclear dependence of the polarizability of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">N</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

1978 • 24 citations

Bond dependence of dipole polarisabilities in HF and HCl molecules

1978 • 22 citations

Ab initio calculations of the derivative of the static polarisability of N₂and CO

1978 • 20 citations

Comparison of Lennard–Jones and Kihara potentials in the theory of collision-induced absorption and dielectric virial coefficients

1976 • 13 citations

Magnetic anisotropies of C2H2 and HCN molecules

1972 • 6 citations