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Next: 62.5.3 Atom-Based Truncation Up: 62.5 Examples Previous: 62.5.1 Projection-Based Embedding   Contents   Index   PDF

62.5.2 Embedded Multiconfigurational Calculations

This example performs an MCSCF-in-DFT calculation on butene.

embed_mrci.com



molpro@molpro.net 2018-04-20