Permanent electric dipole moment of strontium monofluoride as a test of the accuracy of a relativistic coupled-cluster method

被引：13
|
作者：
Prasannaa, V. S. [1 ,2 ]
Abe, M. [3 ,4 ]
Das, B. P. [1 ]
机构：
[1] Indian Inst Astrophys, Bangalore 560034, Karnataka, India
[2] Univ Calicut, Dept Phys, Calicut 673635, Kerala, India
[3] Tokyo Metropolitan Univ, Hachioji, Tokyo 1920397, Japan
[4] JST, CREST, Kawaguchi, Saitama 3320012, Japan
来源：
PHYSICAL REVIEW A | 2014年 / 90卷 / 05期
关键词：
BASIS-SETS; IMPLEMENTATION; DATABASE;
D O I：
10.1103/PhysRevA.90.052507
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
The permanent electric dipole moment of the X-2 Sigma(+) electronic ground state of the strontium monofluoride molecule is calculated using a relativistic coupled-cluster method. Our result is compared with those of other calculations and that of experiment. Individual contributions arising from different physical effects are presented. The result obtained suggests that the relativistic coupled-cluster method used in the present work is capable of yielding accurate results for the permanent electric dipole moments of molecules for which relativistic effects cannot be ignored.
引用
收藏
页数：5
相关论文
共 50 条
  • [1] Permanent electric dipole moment of diatomic molecules using relativistic extended-coupled-cluster method
    Buragohain, Haimyapriya
    Talukdar, Kaushik
    Nayak, Malaya K.
    THEORETICAL CHEMISTRY ACCOUNTS, 2024, 143 (05)
  • [2] Electric dipole polarizability of 129Xe using the relativistic coupled-cluster and the normal coupled-cluster methods
    Sakurai, Akitada
    Sahoo, B. K.
    Das, B. P.
    PHYSICAL REVIEW A, 2018, 97 (06)
  • [3] Relativistic coupled-cluster study of diatomic metal-alkali-metal molecules for electron electric dipole moment searches
    Sunaga, A.
    Abe, M.
    Prasannaa, V. S.
    Aoki, T.
    Hada, M.
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2020, 53 (01)
  • [4] Relativistic unitary coupled-cluster study of the electric quadrupole moment and magnetic dipole hyperfine constants of 199Hg+
    Sur, Chiranjib
    Chaudhuri, Rajat K.
    PHYSICAL REVIEW A, 2007, 76 (03):
  • [5] The permanent electric dipole moment and hyperfine interactions in platinum monofluoride, PtF
    Qin, Chengbing
    Zhang, Ruohan
    Wang, Fang
    Steimle, Timothy C.
    JOURNAL OF CHEMICAL PHYSICS, 2012, 137 (05):
  • [6] Electric dipole polarizability from perturbed relativistic coupled-cluster theory: Application to neon
    Chattopadhyay, S.
    Mani, B. K.
    Angom, D.
    PHYSICAL REVIEW A, 2012, 86 (02):
  • [7] General implementation of the relativistic coupled-cluster method
    Nataraj, Huliyar S.
    Kallay, Mihaly
    Visscher, Lucas
    JOURNAL OF CHEMICAL PHYSICS, 2010, 133 (23):
  • [8] Electric dipole polarizabilities of alkali-metal ions from perturbed relativistic coupled-cluster theory
    Chattopadhyay, S.
    Mani, B. K.
    Angom, D.
    PHYSICAL REVIEW A, 2013, 87 (04):
  • [9] Static dipole polarizability of palladium from relativistic coupled-cluster theory
    Jerabek, Paul
    Schwerdtfeger, Peter
    Nagle, Jeffrey K.
    PHYSICAL REVIEW A, 2018, 98 (01)
  • [10] Electric dipole and quadrupole transition amplitudes for Ba+ using the relativistic coupled-cluster method -: art. no. 032505
    Gopakumar, G
    Merlitz, H
    Chaudhuri, RK
    Das, BP
    Mahapatra, US
    Mukherjee, D
    PHYSICAL REVIEW A, 2002, 66 (03): : 325051 - 325056
12345