Implementation of a Parallel Linear-Response Coupled-Cluster-Theory Module in ACES III
First Application to the Static Polarizabilities of the C20 Isomers and of the Biphospholylidene Dioxide and Disulfide Oligomers
Ajith Perera*,†; Jorge A. Morales*,1 * Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas, USA† Department of Chemistry, Quantum Theory Project, University of Florida, Gainesville, Florida, USA1 Corresponding author: email address: email@example.com
In the context of our ongoing implementation of massively parallel coupled-cluster (CC) capabilities for electron spin resonance tensors (Verma et al., 201346), we present a new massively parallel linear-response CC module ...
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