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