Orbital spaces in the divide-expand-consolidate coupled cluster method
نویسندگان
چکیده
منابع مشابه
The orbital-specific-virtual local coupled cluster singles and doubles method.
We extend the orbital-specific-virtual tensor factorization, introduced for local Møller-Plesset perturbation theory in Ref. [J. Yang, Y. Kurashige, F. R. Manby and G. K. L. Chan, J. Chem. Phys. 134, 044123 (2011)], to local coupled cluster singles and doubles theory (OSV-LCCSD). The method is implemented by modifying an efficient projected-atomic-orbital local coupled cluster program (PAO-LCCS...
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Recently, as demonstrated by an antiferromagnetic spin-lattice application, we have successfully extended the coupled-cluster method (CCM) to a variational formalism in which two sets of distribution functions are introduced to evaluate Hamiltonian expectation. We calculated these distribution functions by employing an algebraic scheme. Here we present an alternative calculation based on a diag...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2016
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4947019