The effect of dynamical correlation on the valence wavefunction of molecules: Dressed complete active space self-consistent field calculations
Anna Clotet, Jean Pierre Daudey, J. P. Malrieu, J. Rubio, Fernand Spiegelmann
Abstract
Anna Clotet, Jean Pierre Daudey, J. P. Malrieu, J. Rubio, Fernand Spiegelmann
Abstract
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Key concepts: Wave function, Complete active space, Chemistry, Generalized valence bond, Electronic correlation, Modern valence bond theory, Atomic physics, Valence electron