Implementation and application of the explicitly correlated coupled-cluster method in Turbomole

In this thesis the implementation of the explicitly correlated coupled-cluster singles-and-doubles model is presented. This tool is capable of efficiently calculating CCSD energies at the basis set limit with relatively small orbital basis sets. The implementation supports RHF, UHF and ROHF referenc...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Prif Awdur: Bachorz, Rafal A. (auth)
Fformat: Electronig Pennod Llyfr
Iaith:Saesneg
Cyhoeddwyd: KIT Scientific Publishing 2009
Pynciau:
Mynediad Ar-lein:DOAB: download the publication
DOAB: description of the publication
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