Publication | Open Access
Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12
309
Citations
19
References
2010
Year
Cluster ScienceCluster ComputingComputational CostsEngineeringConventional Ccsd CalculationData CommunicationCoupled-cluster SinglesCommunication ComplexityComputer ScienceComputational ChemistryParallel ComputingCommunication AlgorithmEfficient Approximations
We propose a novel explicitly correlated coupled-cluster singles and doubles method CCSD(F12(*)), which retains the accuracy of CCSD-F12 while the computational costs are only insignificantly larger than those for a conventional CCSD calculation.
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