An overview is given on the implementation of CC3 singlet and triplet excitation energies having at most objects of size V2O2in memory and storing only objects that are most of size V3O on disc. Storing only objects of size V3O is possible by using T1transformed integrals.
Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections
Koch, Henrik
2002
Abstract
An overview is given on the implementation of CC3 singlet and triplet excitation energies having at most objects of size V2O2in memory and storing only objects that are most of size V3O on disc. Storing only objects of size V3O is possible by using T1transformed integrals.File in questo prodotto:
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