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Next: 56 VIBRATIONAL PERTURBATION THEORY Up: 55.3 The vibrational multi-reference Previous: 55.3.1 Options   Contents   Index   PDF

55.3.2 Explicit definition of the correlation space


Within the VMRCI program the correlation space can be specified in a general manner (keword LEVEX), which means that the same number of modals for each mode will be used. Alternatively, one may use the LEVEX directive. This allows to specify the correlation spaces for the individual modes.

The number of correlating modals for mode n is set to m. 2018-08-14