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Showing 2016 · physics.chem-phShow all
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physics.chem-ph2016★ 44 cited
Stochastic multi-reference perturbation theory with application to linearized coupled cluster method
Guillaume Jeanmairet, Sandeep Sharma, Ali Alavi
In this article we report a stochastic evaluation of the recently proposed LCC multireference perturbation theory [Sharma S., and Alavi A., J. Chem. Phys. 143, 102815, (2015)]. In…
physics.chem-ph2016★ 390 cited
Semistochastic Heat-bath Configuration Interaction method: selected configuration interaction with semistochastic perturbation theory
Sandeep Sharma, Adam Holmes, Guillaume Jeanmairet +2
We extend the recently proposed heat-bath configuration interaction (HCI) method [Holmes, Tubman, Umrigar, J. Chem. Theory Comput. 12, 3674 (2016)], by introducing a semistochastic…