Back to Search Start Over

Correlation trends in the polarizabilities of atoms and ions in the boron, carbon, and zinc homologous sequences of elements.

Authors :
Singh, Yashpal
Sahoo, B. K.
Source :
Physical Review A: Atomic, Molecular & Optical Physics. Aug2014, Vol. 90 Issue 2-A, p1-8. 8p.
Publication Year :
2014

Abstract

We investigate the role of electron-correlation effects in calculations of the electric-dipole polarizabilities a of elements belonging to three different groups (12-14) of the periodic table. To understand the propagation of the electron-correlation effects at different levels of approximations, we employ the relativistic many-body methods developed, based on first principles, at mean-field Dirac-Fock (DF), third-order many-body perturbation theory [MBPT(3)], random-phase approximation (RPA), and singly and doubly approximated coupled-cluster methods at the linearized (LCCSD) and nonlinearized (CCSD) levels. We observe a variance in the trends of the contributions of the correlation effects in a particular group of elements through the many-body method used; however, they resemble a similar tendency among the iso-electronic systems. Our CCSD results are within sub-1% agreement with the experimental values which are further ameliorated by including the contributions from the important triple excitations (CCSDPT method). [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
10502947
Volume :
90
Issue :
2-A
Database :
Academic Search Index
Journal :
Physical Review A: Atomic, Molecular & Optical Physics
Publication Type :
Periodical
Accession number :
98387780
Full Text :
https://doi.org/10.1103/PhysRevA.90.022511