articleTop 1% cited
An efficient second-order MC SCF method for long configuration expansions
Chemical Physics Letters · 1985 · Vol. 115(3) · pp. 259–267
Peter J. Knowles✉(University of Cambridge)Hans‐Joachim Werner(University of Cambridge)
Spectroscopy and Laser ApplicationsAdvanced Chemical Physics StudiesAtmospheric Ozone and ClimateWave functionConvergence (economics)Computational chemistryOrder (exchange)MathematicsSpace (punctuation)Energy (signal processing)Applied mathematicsConfiguration interactionChemistry
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References
The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
Journal of Computational Physics · 1975 · 2,511 citations
A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
Chemical Physics · 1980 · 3,922 citations
Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms
The Journal of Chemical Physics · 1970 · 5,018 citations
Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row Atoms
The Journal of Chemical Physics · 1970 · 3,408 citations
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