Complete Active Space

Views Updated: Dec 15, 2025

Key Facts

Abbreviation
CAS
Pronunciation
/kəmˈplit ˈæktɪv speɪs/
Category
Miscellaneous
Related Field
Construction

Examples in Context

  1. We use the complete active space self-consistent field method to investigate the photo-induced charge-separated excited states and the electron transfer transition of the electron donor-acceptor complex in the present work.
  2. Furthermore, some computational methods of quantum chemistry such as density functional theory ( DFT ), configuration interaction ( CI ) and complete active space self-consistent field ( CASSCF ) method are introduced.
  3. The complete active space self-consistent field ( CASSCF ) calculations have been preformed to these systems to clarify the spin states of them.

Other meanings of CAS