Coupled Cluster Calculations of the Ground and Excited Electronic States Using Two- and Four-Component Relativistic Spinors

Please use this identifier to cite or link to this item: http://hdl.handle.net/2248/3896

Title:	Coupled Cluster Calculations of the Ground and Excited Electronic States Using Two- and Four-Component Relativistic Spinors
Authors:	Chaudhuri, R. K
Keywords:	Standard Model Model space Kinetic balance Variational collapse HF DF RESC CCM and CCLRT
Issue Date:	Dec-2003
Publisher:	Molecular Diversity Preservation International
Citation:	International Journal of Molecular Sciences, Vol. 4, No. 12, pp. 586 - 594
Abstract:	The coupled cluster based linear response theory which is applicable to the direct calculation of atomic and molecular properties are presented and applied to compute the ionization potentials and excitation energies of light and moderately heavy atoms. The e®ect of electron correlation on the ground and excited states is studied using Hartree-Fock, Dirac-Fock and approximate two-component relativistic spinors.
URI:	http://hdl.handle.net/2248/3896
ISSN:	1422-0067
Appears in Collections:	IIAP Publications

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