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Extended coupled cluster through nth perturbation order for molecular response properties: A comparative study.

Authors :
Gupta, Jitendra
Manohar, P.U.
Ghosh, Aryya
Vaval, Nayana
Pal, Sourav
Source :
Chemical Physics. May2013, Vol. 417, p45-51. 7p.
Publication Year :
2013

Abstract

Highlights: [•] Extended coupled cluster method is used for all calculations. [•] The energy functional is truncated up to nth perturbation order. [•] Dipole moments for all the molecules are calculated at both equilibrium and stretched geometry. [Copyright &y& Elsevier]

Details

Language :
English
ISSN :
03010104
Volume :
417
Database :
Academic Search Index
Journal :
Chemical Physics
Publication Type :
Academic Journal
Accession number :
89217684
Full Text :
https://doi.org/10.1016/j.chemphys.2013.03.012