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- W2042951578 abstract "The vibrational multi-reference coupled cluster method is developed to calculate the vibrational excitation energies of polyatomic molecules. The method is implemented on ozone and formaldehyde molecules and the results are compared with full vibrational configuration interaction (FVCI) method. A good agreement is found between the vibrational multi-reference coupled cluster method and converged FVCI method for lower lying vibrational states." @default.
- W2042951578 created "2016-06-24" @default.
- W2042951578 creator A5054814826 @default.
- W2042951578 creator A5080755369 @default.
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- W2042951578 date "2012-09-20" @default.
- W2042951578 modified "2023-10-18" @default.
- W2042951578 title "Vibrational multi-reference coupled cluster theory in bosonic representation" @default.
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- W2042951578 doi "https://doi.org/10.1063/1.4753422" @default.
- W2042951578 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22998250" @default.
- W2042951578 hasPublicationYear "2012" @default.
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