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Achieving Chemical Accuracy with Coupled-Cluster TheoryDue to formal and computational advances in coupled-cluster theory over the past few years, it is now possible to obtain very accurate molecular geometries, vibrational frequencies, heats of formation, binding energies, and vertical electronic excitation energies. The present monograph reviews the advances that have lead to the current state-of-the art, and also summarizes selected examples from the published literature.
Document ID
20010048894
Acquisition Source
Ames Research Center
Document Type
Abstract
Authors
Lee, Timothy J.
(NASA Ames Research Center Moffett Field, CA United States)
Scuseria, Gustavo E.
(Rice Univ. Houston, TX United States)
Arnold, James O.
Date Acquired
August 20, 2013
Publication Date
January 1, 1994
Subject Category
Solid-State Physics
Distribution Limits
Public
Copyright
Work of the US Gov. Public Use Permitted.

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