Intermediate hamiltonian Hilbert space coupled cluster method: Theory and pilot application

Eliav Ephraim; Anastasia Borschevsky; K. R. Shamasundar; Pal Sourav; Uzi Kaldor

doi:10.1002/qua.22155

Intermediate hamiltonian Hilbert space coupled cluster method: Theory and pilot application

Eliav Ephraim, Anastasia Borschevsky, K. R. Shamasundar, Pal Sourav, Uzi Kaldor^*

^*Corresponding author for this work

School of Chemistry

Research output: Contribution to journal › Article › peer-review

26 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	2909-2915
Number of pages	7
Journal	International Journal of Quantum Chemistry
Volume	109
Issue number	13
DOIs	https://doi.org/10.1002/qua.22155
State	Published - 5 Nov 2009

Keywords

Coupled cluster
Hilbert space
Intermediate Hamiltonian

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10.1002/qua.22155

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AU - Sourav, Pal

AU - Kaldor, Uzi

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Intermediate hamiltonian Hilbert space coupled cluster method: Theory and pilot application

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Keywords

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