UID:
edoccha_9959145714902883
Format:
1 electronic resource (102 p. p.)
ISBN:
1000011987
Content:
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.
Note:
English
Additional Edition:
ISBN 3-86644-392-7
Language:
English
