Electron correlation, basis sets, and the methylene singlet–triplet gap

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

1970 • 4,990 citations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Methods of Electronic Structure Theory

1977 • 2,725 citations

Self-Consistent Procedures for Generalized Valence Bond Wavefunctions. Applications H3, BH, H2O, C2H6, and O2

1972 • 376 citations

Relation between singlet-triplet gaps and bond energies

1986 • 298 citations

Improved Quantum Theory of Many-Electron Systems. V. The Spin-Coupling Optimized GI Method

1969 • 209 citations

Geometry and singlet-triplet energy gap in methylene: a critical review of experimental and theoretical determinations

1985 • 190 citations

The potential surface of X̃ 3B1 methylene (CH2) and the singlet–triplet splitting

1986 • 169 citations

The orthogonality constrained basis set expansion method for treating off-diagonal lagrange multipliers in calculations of electronic wave functions

1969 • 121 citations

Theoretical studies of the low-lying states of ScO, ScS, VO, and VS

1986 • 108 citations

Orbital optimization in electronic wave functions; equations for quadratic and cubic convergence of general multiconfiguration wave functions

1976 • 95 citations

Methylene: ab initio vibronic analysis and reinterpretation of the spectroscopic and negative ion photoelectron experiments

1978 • 81 citations

The proper treatment of off-diagonal lagrange multipliers and coupling operators in self-consistent field equations

1969 • 71 citations

Bonding in transition-metal methylene complexes. 3. Comparison of chromium and rubidium carbenes: prediction of stable LnM(CXY) systems

1986 • 59 citations

The incorporation of quadratic convergence into open-shell self-consistent field equations

1970 • 57 citations