Coupled-Cluster Methods for Large Molecular Systems Through Massive Parallelism and Reduced-Scaling Approaches

Accurate correlated electronic structure methods involve a significant amount of computations and can be only employed to small molecular systems. For example, the coupled-cluster singles, doubles, and perturbative triples model (CCSD(T)), which is known as the ``gold standard" of quantum chemi...

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Bibliographic Details
Main Author: Peng, Chong
Other Authors: Chemistry
Format: Others
Published: Virginia Tech 2018
Subjects:
Online Access:http://hdl.handle.net/10919/82971