Nonlinear molecular properties using biorthogonal response approach

Vaval, Nayana ; Ghose, Keya Basu ; Pal, Sourav (1994) Nonlinear molecular properties using biorthogonal response approach Journal of Chemical Physics, 101 (6). pp. 4914-4919. ISSN 0021-9606

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Official URL: http://link.aip.org/link/JCPSA6/v101/i6/p4914/s1

Related URL: http://dx.doi.org/10.1063/1.467413

Abstract

In this paper, we report the use of extended coupled cluster functional of Arponen, Bishop, and co-workers to implement a stationary biorthogonal response approach. The objective of this is to calculate nonlinear molecular properties like hyperpolarizability, etc. in a more convenient way.

Item Type:Article
Source:Copyright of this article belongs to American Institute of Physics.
ID Code:25904
Deposited On:04 Dec 2010 11:03
Last Modified:05 Mar 2011 06:21

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