期刊
PHYSICAL REVIEW A
卷 90, 期 2, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevA.90.022511
关键词
-
资金
- INSA-JSPS [IA/INSA-JSPS Project/2013-2016/February 28, 2013/4098]
We investigate the role of electron-correlation effects in calculations of the electric-dipole polarizabilities alpha 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).
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