On the development of many-body theories for intramolecular dynamics

Durga Prasad, M. (1987) On the development of many-body theories for intramolecular dynamics Proceedings of the Indian Academy of Sciences - Chemical Sciences, 99 (1-2). pp. 61-65. ISSN 0253-4134

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Official URL: http://www.ias.ac.in/j_archive/chemsci/99/1/61-65/...

Related URL: http://dx.doi.org/10.1007/BF02935775

Abstract

The efficacy of using time-dependent generalizations of the closed shell coupled cluster method for intramolecular processes associated with non-degenerate vacuum in the context of molecular absorption spectra is examined. Since the separability requirements are built into such an ansatz for the time evolution operator, it is possible to develop approximations which can take into account any number of modes, with much less computational effort than in a calculation by basis set expansion.

Item Type:Article
Source:Copyright of this article belongs to Indian Academy of Sciences.
Keywords:Coupled Cluster Method; Intramolecular Dynamics; Time-dependent Generalizations
ID Code:79352
Deposited On:25 Jan 2012 12:03
Last Modified:18 May 2016 21:45

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