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Development and Application of Single-Referenced Perturbation and Coupled-Cluster Theories for Excited Electronic StatesRecent work on the development of single-reference perturbation theories for the study of excited electronic states will be discussed. The utility of these methods will be demonstrated by comparison to linear-response coupled-cluster excitation energies. Results for some halogen molecules of interest in stratospheric chemistry will be presented.
Document ID
20020041762
Document Type
Conference Paper
Authors
Lee, Timothy J. (NASA Ames Research Center Moffett Field, CA United States)
Langhoff, Stephen R.
Date Acquired
August 20, 2013
Publication Date
January 1, 1997
Subject Category
Electronics and Electrical Engineering
Meeting Information
Spring American Chemical Society Meeting(San Francisco, CA)
Funding Number(s)
PROJECT: RTOP 242-80-01
Distribution Limits
Public
Copyright
Work of the US Gov. Public Use Permitted.