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

dc.contributor.author	Chaudhuri, R. K
dc.date.accessioned	2008-09-25T13:33:00Z
dc.date.available	2008-09-25T13:33:00Z
dc.date.issued	2003-12
dc.identifier.citation	International Journal of Molecular Sciences, Vol. 4, No. 12, pp. 586 - 594	en
dc.identifier.issn	1422-0067
dc.identifier.uri	http://hdl.handle.net/2248/3896
dc.description.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.	en
dc.language.iso	en	en
dc.publisher	Molecular Diversity Preservation International	en
dc.relation.uri	http://www.mdpi.org/ijms/papers/i4120586.pdf
dc.subject	Standard Model	en
dc.subject	Model space	en
dc.subject	Kinetic balance	en
dc.subject	Variational collapse	en
dc.subject	HF	en
dc.subject	DF	en
dc.subject	RESC	en
dc.subject	CCM and CCLRT	en
dc.title	Coupled Cluster Calculations of the Ground and Excited Electronic States Using Two- and Four-Component Relativistic Spinors	en
dc.type	Article	en