Dipole polarizability calculation of the Cd atom: Inconsistency with experiment

doi:10.1103/PhysRevA.98.012513

	Dipole polarizability calculation of the Cd atom: Inconsistency with experiment
	Sahoo, B. K.1,2; Yu, Yan-mei 3
刊名	PHYSICAL REVIEW A
	2018-07-31
卷号	98 期号:1
ISSN号	2469-9926
DOI	10.1103/PhysRevA.98.012513
文献子类	Article
英文摘要	Three earlier relativistic coupled-cluster (RCC) calculations of dipole polarizability (alpha(d)) of the Cd atom are not in good agreement with the available experimental value of 49.65(1.65) ea(0)(3). Among these two are finite-field approaches in which the relativistic effects have been included approximately, while the other calculation uses a four-component perturbed RCC method. However, another work adopting an approach similar to the latter perturbed RCC method gives a result very close to that of experiment. The major difference between these two perturbed RCC approaches lies in their implementation. To resolve this ambiguity, we have developed and employed the relativistic normal coupled-cluster (RNCC) theory to evaluate the alpha(d) value of Cd. The distinct features of theRNCCmethod are that the expression for the expectation value in this approach terminates naturally and that it satisfies the Hellmann-Feynman theorem. In addition, we determine this quantity in the finite-field approach in the framework of a four-component relativistic coupled-cluster theory. Considering the results from both approaches, we arrive at a reliable value of alpha(d) = 46.02(50) ea(0)(3). We also demonstrate that the contribution from the triples excitations in this atom is significant.
WOS关键词	COUPLED-CLUSTER THEORY ; CORRELATED CALCULATIONS ; SHIELDING FACTORS ; BASIS-SETS ; ELEMENTS ; MOMENT ; FIELD
WOS研究方向	Optics ; Physics
语种	英语
出版者	AMER PHYSICAL SOC
WOS记录号	WOS:000440381400009
资助机构	Chinese Academy of Science (CAS) through the PIFI fellowship(2017VMB0023) ; Chinese Academy of Science (CAS) through the PIFI fellowship(2017VMB0023) ; TDP project of the Physical Research Laboratory (PRL) ; TDP project of the Physical Research Laboratory (PRL) ; National Natural Science Foundation of China(91536106) ; National Natural Science Foundation of China(91536106) ; CAS(XDB21030300) ; CAS(XDB21030300) ; NKRD Program of China(2016YFA0302104) ; NKRD Program of China(2016YFA0302104) ; Chinese Academy of Science (CAS) through the PIFI fellowship(2017VMB0023) ; Chinese Academy of Science (CAS) through the PIFI fellowship(2017VMB0023) ; TDP project of the Physical Research Laboratory (PRL) ; TDP project of the Physical Research Laboratory (PRL) ; National Natural Science Foundation of China(91536106) ; National Natural Science Foundation of China(91536106) ; CAS(XDB21030300) ; CAS(XDB21030300) ; NKRD Program of China(2016YFA0302104) ; NKRD Program of China(2016YFA0302104) ; Chinese Academy of Science (CAS) through the PIFI fellowship(2017VMB0023) ; Chinese Academy of Science (CAS) through the PIFI fellowship(2017VMB0023) ; TDP project of the Physical Research Laboratory (PRL) ; TDP project of the Physical Research Laboratory (PRL) ; National Natural Science Foundation of China(91536106) ; National Natural Science Foundation of China(91536106) ; CAS(XDB21030300) ; CAS(XDB21030300) ; NKRD Program of China(2016YFA0302104) ; NKRD Program of China(2016YFA0302104) ; Chinese Academy of Science (CAS) through the PIFI fellowship(2017VMB0023) ; Chinese Academy of Science (CAS) through the PIFI fellowship(2017VMB0023) ; TDP project of the Physical Research Laboratory (PRL) ; TDP project of the Physical Research Laboratory (PRL) ; National Natural Science Foundation of China(91536106) ; National Natural Science Foundation of China(91536106) ; CAS(XDB21030300) ; CAS(XDB21030300) ; NKRD Program of China(2016YFA0302104) ; NKRD Program of China(2016YFA0302104)
内容类型	期刊论文
源URL	[http://ir.wipm.ac.cn/handle/112942/13022]
专题	中国科学院武汉物理与数学研究所
通讯作者	Sahoo, B. K.; Yu, Yan-mei
作者单位	1.Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Hubei, Peoples R China 2.Phys Res Lab, Atom Mol & Opt Phys Div, Ahmadabad 380009, Gujarat, India 3.Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Sahoo, B. K.,Yu, Yan-mei. Dipole polarizability calculation of the Cd atom: Inconsistency with experiment[J]. PHYSICAL REVIEW A,2018,98(1).
APA	Sahoo, B. K.,&Yu, Yan-mei.(2018).Dipole polarizability calculation of the Cd atom: Inconsistency with experiment.PHYSICAL REVIEW A,98(1).
MLA	Sahoo, B. K.,et al."Dipole polarizability calculation of the Cd atom: Inconsistency with experiment".PHYSICAL REVIEW A 98.1(2018).