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the_vb_program_casvb [2025/07/04 09:46] – dlcthe_vb_program_casvb [2025/07/18 10:44] (current) – very minor changes dlc
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   * variational optimization of quite general types of nonorthogonal MCSCF or so-called modern valence bond wavefunctions;   * variational optimization of quite general types of nonorthogonal MCSCF or so-called modern valence bond wavefunctions;
-  * representation of CASSCF wavefunctions in modern valence form, using overlap- (//relatively inexpensive//) or energy-based criteria.+  * to generate representations of CASSCF wavefunctions in modern valence bond form, using overlap- (//relatively inexpensive//) or energy-based criteria. 
  
 In general, as in the spin-coupled generalized valence bond (SCGVB) approach, active orbitals are expanded in the full molecular basis set without locality constraints. In general, as in the spin-coupled generalized valence bond (SCGVB) approach, active orbitals are expanded in the full molecular basis set without locality constraints.