Publication

Intermediate Hamiltonian Hilbert Space Coupled Cluster Method: Theory and Pilot Application

Eliav, E., Borschevsky, A., Shamasundar, K. R., Pal, S. & Kaldor, U., 5-Nov-2009, In : International Journal of Quantum Chemistry. 109, 13, p. 2909-2915 7 p.

Research output: Contribution to journalArticleAcademicpeer-review

The intermediate Hamiltonian state universal (Hilbert-space) coupled-cluster method is presented, using a formalism similar to that developed for the valence universal (Fock-space) approach. The method is expected to be applicable to many states not accessible by traditional multiroot multireference all-order size-extensive approaches. A pilot application to excited states of atomic beryllium shows good convergence and agreement with experiment and full CI values. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 109: 2909-2915, 2009

Original languageEnglish
Pages (from-to)2909-2915
Number of pages7
JournalInternational Journal of Quantum Chemistry
Volume109
Issue number13
Publication statusPublished - 5-Nov-2009
Externally publishedYes

    Keywords

  • coupled cluster, intermediate Hamiltonian, Hilbert space, GENERAL-MODEL-SPACE, DEGENERATE PERTURBATION-THEORY, FOCK-SPACE, EXCITED-STATES, LIH MOLECULE, SYSTEMS, EQUATIONS, OPERATORS, FORMALISM, ENERGIES

ID: 28591127