New approach to the state-specific multireference coupled-cluster formalism

Ludwik Adamowicz, Jean Paul Malrieu, Vladimir V. Ivanov

Research output: Contribution to journalArticlepeer-review

75 Scopus citations


Possible forms of the coupled-cluster wave function for systems which cannot be described with a single-reference approach are explored. Within the framework of the state-specific multireference coupled-cluster theory and based on the complete active space self-consistent field (CASSCF) wave functions, several proposals are made regarding the form of the reference function and the cluster structure of the CC correlation operator. An internally contracted method provides a viable approach to describing electronic excited states.

Original languageEnglish (US)
Pages (from-to)10075-10084
Number of pages10
JournalJournal of Chemical Physics
Issue number23
StatePublished - Jun 15 2000

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


Dive into the research topics of 'New approach to the state-specific multireference coupled-cluster formalism'. Together they form a unique fingerprint.

Cite this