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Int. J. Mol. Sci. 2003, 4(12), 586-594; doi:10.3390/i4120586

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

Indian Institute of Astrophysics, Bangalore-560034, India
Received: 7 September 2003 / Accepted: 28 October 2003 / Published: 4 December 2003
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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.
Keywords: Standard Model; Model space; Kinetic balance; Variational collapse; HF; DF; RESC; CCM and CCLRT Standard Model; Model space; Kinetic balance; Variational collapse; HF; DF; RESC; CCM and CCLRT
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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MDPI and ACS Style

Chaudhuri, R.K. Coupled Cluster Calculations of the Ground and Excited Electronic States Using Two- and Four-Component Relativistic Spinors. Int. J. Mol. Sci. 2003, 4, 586-594.

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