Electron affinity calculations on NH−2, PH−2, CN−, SH−, OH−, Cl−, and F−: Basis sets and direct vs indirect methods

Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18

1980 • 8,859 citations

Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets

1984 • 7,939 citations

Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F

1983 • 6,550 citations

Methods of Electronic Structure Theory

1977 • 2,725 citations

Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules

1981 • 2,054 citations

Binding energies in atomic negative ions

1975 • 1,526 citations

Computational methods for the one-particle green's function

1984 • 1,083 citations

Møller–Plesset theory for atomic ground state energies

1975 • 931 citations

Molecular Electron Propagator Theory and Calculations

1981 • 380 citations

Polarization functions for first and second row atoms in Gaussian type MO-SCF calculations

1970 • 377 citations

Laser photodetachment determination of the electron affinities of OH, NH2, NH, SO2, and S2

1974 • 233 citations

Configuration-interaction study of atoms. I. Correlation energies of B, C, N, O, F, and Ne

1974 • 171 citations

Photoionization of HCN: The Electron Affinity and Heat of Formation of CN

1969 • 170 citations

Photodetachment Cross Section, Electron Affinity, and Structure of the Negative Hydroxyl Ion

1966 • 132 citations

Laser photoelectron spectrometry of PO⁻, PH⁻, and PH⁻₂

1976 • 111 citations

High resolution photodetachment study of OH− and OD− in the threshold region 7000–6450 Å

1974 • 108 citations

Dipole polarizability of the fluoride ion with many-body methods

1984 • 80 citations

Theoretical study of stable negative ions of polar molecules: NaH−, LiH−, LiF−, BeO−

1976 • 80 citations

Elementary finite order perturbation theory for vertical ionization energies

1978 • 79 citations

Basis set and electron correlation effects on the electron affinities of first row atoms

1985 • 78 citations

A theoretical study of the gaseous oxides phosphorus dioxide (PO2) and phosphorus monoxide (PO), their anions, and their role in the combustion of phosphorus and phosphine

1984 • 71 citations

Theoretical studies of molecular ions. Ionization potentials of CN− and BO−

1976 • 68 citations

Photodetachment of Electrons from SH−

1968 • 68 citations

MCSCF pseudopotential calculations for the alkali hydrides and their anions

1981 • 66 citations

Theoretical characterization of negative ions. Calculation of the electron affinities of carbon, oxygen, and fluorine

1982 • 66 citations

A b i n i t i o multireference CI determinations of the electron affinity of carbon and oxygen

1985 • 60 citations

Theoretical study of the litium dimer and its anion

1983 • 56 citations

Coupled cluster calculations with numerical orbitals for excited states of polar anions

1985 • 54 citations

On the calculation of electron binding energies

1978 • 45 citations

Theoretical investigation of the electron affinity of CO2

1981 • 45 citations

A Mo/ller–Plesset study of the electron affinities of the diatomic hydrides XH (X=Li, B, Be, C, N, O)

1986 • 45 citations

A calculation of the electron detachment energy of NO2−

1977 • 42 citations

A theoretical determination of the electron affinity of methylene

1982 • 41 citations

A calculation of the electron affinity of the lithium molecule

1976 • 35 citations

Theoretical study of the vertical electron affinity and ionization potentials of C3

1984 • 34 citations

Electron propagator theory of molecular anions

1980 • 33 citations

Electron-propagator calculations with a transition-operator reference

1983 • 33 citations

Electron propagator calculations of molecular electron affinities

1981 • 32 citations

Photodetachment Energies of Negative Ions by Ion Cyclotron Resonance Spectroscopy. Electron Affinities of Neutral Radicals

1969 • 31 citations

Hartree–Fock electron affinity of the CN radical

1977 • 30 citations

Low-lying electronic states of CSi^-and electron affinity of CSi according to ab initio MRD-CI calculations

1983 • 28 citations

Theoretical study of the 2Σu+ and 2Σg+ states of Li2− and Na2−

1984 • 28 citations

Many-body calculation of electron affinities: C₂and a prediction for P₂

1977 • 27 citations

Radiative electron-attachment spectra of O₃and SO₂

1977 • 25 citations

Electronic structure of the lithium molecular anion, Li2−

1985 • 24 citations

Ab initio MRD-CI calculation of the electron affinities of Si and SiH: study of three stable states of the respective negative ions

1983 • 22 citations

Electron affinities by a variation-perturbation approach

1977 • 19 citations

A calculation of the photodetachment energy of NH2−

1976 • 18 citations

Molecular structure of the hydroperoxyl anion (HO−2 )

1984 • 17 citations

Accurate electron affinities of several diatomic and triatomic molecules

1986 • 17 citations

Theoretical evidence supporting the 4Δ ground-state assignment for FeH

1984 • 17 citations

Complete-active-space self-consistent-field and contracted configuration-interaction study of the electron correlation in Ne,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">F</mml:mi></mml:mrow><mml:mrow><mml:mo>−</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">Ne</mml:mi></…

1982 • 17 citations

Electron affinities: Basis and correlation effects

1985 • 16 citations

SAC-CI calculations of the electron affinity of SO2

1985 • 16 citations

Geometry and stability of the CH2N- anion: an ab initio study

1985 • 16 citations

Differential correlation effects for states of the 3dⁿand 3dⁿ4s^mconfigurations. I. The copper and zinc atoms and their ions

1985 • 12 citations

Ionic states of nitrosyl cyanide

1985 • 8 citations