Open-shell coupled-cluster method: Direct calculation of excitation energies

Uzi Kaldor, Azizul Haque*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


An open-shell coupled-cluster method for the direct calculation of excitation energies is presented. As a first test, applications to atomic Be and Ne are carried out, with exact inclusion of T1 and T2, operators and lowest-order inclusion of T3. Quasicomplete model spaces are used. Two ionization potentials and 16 excitation energies are calculated. They all agree with experiment to 0.15 eV.

Original languageEnglish
Pages (from-to)45-48
Number of pages4
JournalChemical Physics Letters
Issue number1
StatePublished - 11 Jul 1986


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