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.
2002
Atomic and Molecular Physics, and Optics
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11384/69805
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