Implementation and application of the explicitly correlated coupled-cluster method in Turbomole (Record no. 40697)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 01571naaaa2200289uu 4500 |
| 001 - CONTROL NUMBER | |
| control field | https://directory.doabooks.org/handle/20.500.12854/50034 |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20220219200801.0 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | KSP/1000011987 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9783866443921 |
| 024 7# - OTHER STANDARD IDENTIFIER | |
| Standard number or code | 10.5445/KSP/1000011987 |
| Terms of availability | doi |
| 041 0# - LANGUAGE CODE | |
| Language code of text/sound track or separate title | English |
| 042 ## - AUTHENTICATION CODE | |
| Authentication code | dc |
| 100 1# - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Bachorz, Rafal A. |
| Relationship | auth |
| 245 10 - TITLE STATEMENT | |
| Title | Implementation and application of the explicitly correlated coupled-cluster method in Turbomole |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. | |
| Name of publisher, distributor, etc. | KIT Scientific Publishing |
| Date of publication, distribution, etc. | 2009 |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 1 electronic resource (102 p. p.) |
| 506 0# - RESTRICTIONS ON ACCESS NOTE | |
| Terms governing access | Open Access |
| Source of term | star |
| Standardized terminology for access restriction | Unrestricted online access |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. | 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. |
| 540 ## - TERMS GOVERNING USE AND REPRODUCTION NOTE | |
| Terms governing use and reproduction | Creative Commons |
| Use and reproduction rights | https://creativecommons.org/licenses/by-nc-nd/4.0/ |
| Source of term | cc |
| -- | https://creativecommons.org/licenses/by-nc-nd/4.0/ |
| 546 ## - LANGUAGE NOTE | |
| Language note | English |
| 653 ## - INDEX TERM--UNCONTROLLED | |
| Uncontrolled term | coupled-cluster theory |
| 653 ## - INDEX TERM--UNCONTROLLED | |
| Uncontrolled term | explicit correlation |
| 653 ## - INDEX TERM--UNCONTROLLED | |
| Uncontrolled term | transition-state theory |
| 653 ## - INDEX TERM--UNCONTROLLED | |
| Uncontrolled term | CCSD |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Host name | www.oapen.org |
| Uniform Resource Identifier | <a href="https://www.ksp.kit.edu/9783866443921">https://www.ksp.kit.edu/9783866443921</a> |
| Access status | 0 |
| Public note | DOAB: download the publication |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Host name | www.oapen.org |
| Uniform Resource Identifier | <a href="https://directory.doabooks.org/handle/20.500.12854/50034">https://directory.doabooks.org/handle/20.500.12854/50034</a> |
| Access status | 0 |
| Public note | DOAB: description of the publication |
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