Explicitly correlated coupled cluster calculations of the dissociation energies and barriers to concerted hydrogen exchange of (HF)n oligomers (n=2,3,4,5)

By Klopper Wim   Quack Martin   Suhm Martin A.  

Molecular Physics, Vol. 94, Iss. 1, 1998-05 ,pp. : 105-119

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Inversion levels of H 3 O + as a probe for the basis set convergence in traditional and explicitly correlated coupled-cluster calculations

By Rajamäki Timo   Noga Jozef   Valiron Pierre   Halonen Lauri  

Molecular Physics, Vol. 102, Iss. 21-22, 2004-01 ,pp. : 2259-2268

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Explicitly correlated coupled cluster methods with pair-specific geminals

By Werner Hans-Joachim   Knizia Gerald   Manby Frederick  

Molecular Physics, Vol. 109, Iss. 3, 2011-02 ,pp. : 407-417

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Revisiting the use of explicitly correlated geminals in coupled pair calculations: new perspectives and a proposal

By Monkhorst Hendrik J.  

Molecular Physics, Vol. 103, Iss. 15-16, 2005-08 ,pp. : 2009-2017

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Coupled-cluster studies of singlet propynylidene

By Stanton John F.   Byun K. Suzie  

Molecular Physics, Vol. 96, Iss. 4, 1999-02 ,pp. : 505-509

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