Formulation and implementation of the relativistic fock-space coupled cluster method for molecules

L. Visscher, E. Eliav, U. Kaldor

Research output: Contribution to journalArticlepeer-review

Abstract

An overview is given on the implementation of the Fock-space coupled cluster method in the one-hole and one-particle sectors in the MOLFDIR and DIRAC program systems. Pilot applications to the I2 and HgH molecules are given. These calculations demonstrate the features and feasibility of the method.

Original languageEnglish
Pages (from-to)9720-9726
Number of pages7
JournalJournal of Chemical Physics
Volume115
Issue number21
DOIs
StatePublished - 1 Dec 2001

Fingerprint

Dive into the research topics of 'Formulation and implementation of the relativistic fock-space coupled cluster method for molecules'. Together they form a unique fingerprint.

Cite this