articleTop 10% cited
The CASSCF state interaction method
Chemical Physics Letters · 1989 · Vol. 155(2) · pp. 189–194
Per‐Åke Malmqvist✉(Swedish e-Science Research Centre)Björn O. Roos(Swedish e-Science Research Centre)
Advanced Chemical Physics StudiesPhotochemistry and Electron Transfer StudiesMolecular Junctions and NanostructuresWave functionAtomic orbitalBasis setHamiltonian (control theory)Hamiltonian matrixExcited stateComputationConfiguration interactionBasis (linear algebra)Chemistry
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References
Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction
Physical Review · 1955 · 3,542 citations
A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
Chemical Physics · 1980 · 3,922 citations
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