A variational method to calculate static electronic properties

Pal, Sourav (1984) A variational method to calculate static electronic properties Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 66 (3-4). pp. 151-159. ISSN 1432-881X

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Official URL: http://www.springerlink.com/content/n34528p7827003...

Related URL: http://dx.doi.org/10.1007/BF00549665

Abstract

Using a coupled cluster form of the wave function, a variational method is formulated for calculation of static properties of any order. Corresponding to an appropriate perturbed hamiltonian H(λ) including the relevant static property, a size consistent functional is set up. In a hierarchical fashion, properties of different orders may be found out using a variational method.

Item Type:Article
Source:Copyright of this article belongs to Springer-Verlag.
Keywords:Size Consistency; Variational Method; Atoms and Molecules; Coupled-cluster Wave Function
ID Code:25938
Deposited On:04 Dec 2010 10:57
Last Modified:04 Dec 2010 10:57

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