Direct optimization of orbitals for multiconfiguration self-consistent field theory by unitary transformations

By Polezzo Stefano   Fantucci Piercarlo  

Molecular Physics, Vol. 39, Iss. 6, 1980-04 ,pp. : 1527-1535

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Multi-configuration self-consistent field theory with non-orthogonal orbitals

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On convergence guarantees for the multi-configuration self-consistent field theory

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A parallel multi-configuration self-consistent field algorithm

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Self-consistent field perturbation theory of molecular vibrations

By Sergeev Alexei V.   Goodson David Z.  

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