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

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

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...

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Bibliographic Details
Main Author: Rajat K. Chaudhuri
Format: Article
Language:English
Published: MDPI AG 2003-12-01
Series:International Journal of Molecular Sciences
Subjects:
Standard Model
Model space
Kinetic balance
Variational collapse
HF
DF
RESC
CCM and CCLRT
Online Access:http://www.mdpi.com/1422-0067/4/12/586/

Internet

http://www.mdpi.com/1422-0067/4/12/586/

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