Implementation and application of the explicitly correlated coupled-cluster method in Turbomole
Language: German
Published by KIT Scientific Publishing 24.09.2009., 2009
- Softcover
- Used
Seller: avelibro OHG, Dinkelscherben, Germanyavelibro OHG
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102 S. 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 reference wave functions. The usefulness of the developed tool is illustrated with selected chemical applications. B02-04-06F Sprache: Deutsch Gewicht in Gramm: 215.
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Bibliographic details
- Title
- Implementation and application of the explicitly correlated coupled-cluster method in Turbomole
- Author
- Bachorz, RafaÅ A:
- Publisher
- KIT Scientific Publishing 24.09.2009.
- Publication year
- 2009
- Condition
- Sehr gut
- Binding
- 8° Paperback
- Language
- German
- ISBN 10
- 3866443927
- ISBN 13
- 9783866443921
- Item weight
- 215 grams
- Seller catalogs
- Informatik
avelibro OHG
Dinkelscherben, Germany
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avelibro OHG
Römerstr. 4
Dinkelscherben, Germany 86424