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A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
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Roothaan-Hartree-Fock atomic wavefunctions
Enrico Clementi, Carla Roetti (1974)
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New Developments in Molecular Orbital Theory
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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
Per-Olov Löwdin (1955)