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300   $a"March 30, 1998."
300   $a"E1KAF7-10-0015-8100094."
320   $aIncludes bibliographical references.
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100   $a20202102d2009      |y         0
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135   $aurmn|---annan
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200 00$aImplementation and application of the explicitly correlated coupled-cluster method in Turbomole
210   $cKIT Scientific Publishing$d2009
215   $a1 online resource (102 p. p.)
311 08$a3-86644-392-7 
330   $aIn 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.
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610   $aCCSD
610   $acoupled-cluster theory
610   $aexplicit correlation
610   $atransition-state theory
615  7$aChemistry
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