High-precision nonadiabatic calculations of dynamic polarizabilities and hyperpolarizabilities for low-lying vibrational-rotational states of hydrogen molecular ions

CORC > 武汉物理与数学研究所 > 中国科学院武汉物理与数学研究所 > 理论与交叉研究部

	High-precision nonadiabatic calculations of dynamic polarizabilities and hyperpolarizabilities for low-lying vibrational-rotational states of hydrogen molecular ions
	Tang, Li-Yan 1,2,3; Yan, Zong-Chao 1,2,3,4; Shi, Ting-Yun 1,2; Babb, James F.3
刊名	PHYSICAL REVIEW A
	2014-07-29
卷号	90 期号:1
英文摘要	The static and dynamic electric multipolar polarizabilities and second hyperpolarizabilities of the H-2(+), D-2(+), and HD+ molecular ions in the ground and first excited states are calculated nonrelativistically using explicitly correlated Hylleraas basis sets. The calculations are fully nonadiabatic; the Born-Oppenheimer approximation is not used. Comparisons are made with published theoretical and experimental results, where available. In our approach, no derivatives of energy functions nor derivatives of response functions are needed. In particular, we make contact with earlier calculations in the Born-Oppenheimer calculation where polarizabilities were decomposed into electronic, vibrational, and rotational contributions and where hyperpolarizabilities were determined from derivatives of energy functions. We find that the static hyperpolarizability for the ground state of HD+ is seven orders of magnitude larger than the corresponding dipole polarizability. For the dipole polarizability of HD+ in the first excited state the high precision of the present method facilitates treatment of a near cancellation between two terms. For applications to laser spectroscopy of trapped ions we find tune-out and magic wavelengths for the HD+ ion in a laser field. In addition, we also calculate the first few leading terms for long-range interactions of a hydrogen molecular ion and a ground state H, He, or Li atom.
WOS标题词	Science & Technology ; Physical Sciences
类目[WOS]	Optics ; Physics, Atomic, Molecular & Chemical
研究领域[WOS]	Optics ; Physics
关键词[WOS]	BORN-OPPENHEIMER APPROXIMATION ; FUNDAMENTAL PHYSICAL CONSTANTS ; INFRARED-LASER SPECTROSCOPY ; CODATA RECOMMENDED VALUES ; ANGULAR-MOMENTUM STATES ; D2 RYDBERG STATES ; DIPOLE POLARIZABILITIES ; MICROWAVE SPECTROSCOPY ; POLARIZATION MODEL ; H-2
收录类别	SCI
语种	英语
WOS记录号	WOS:000341309900005
公开日期	2015-07-14
内容类型	期刊论文
源URL	[http://ir.wipm.ac.cn/handle/112942/1389]
专题	武汉物理与数学研究所_理论与交叉研究部
作者单位	1.Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China 2.Chinese Acad Sci, Wuhan Inst Phys & Math, Ctr Cold Atom Phys, Wuhan 430071, Peoples R China 3.Harvard Smithsonian Ctr Astrophys, ITAMP, Cambridge, MA 02138 USA 4.Univ New Brunswick, Dept Phys, Fredericton, NB E3B 5A3, Canada
推荐引用方式 GB/T 7714	Tang, Li-Yan,Yan, Zong-Chao,Shi, Ting-Yun,et al. High-precision nonadiabatic calculations of dynamic polarizabilities and hyperpolarizabilities for low-lying vibrational-rotational states of hydrogen molecular ions[J]. PHYSICAL REVIEW A,2014,90(1).
APA	Tang, Li-Yan,Yan, Zong-Chao,Shi, Ting-Yun,&Babb, James F..(2014).High-precision nonadiabatic calculations of dynamic polarizabilities and hyperpolarizabilities for low-lying vibrational-rotational states of hydrogen molecular ions.PHYSICAL REVIEW A,90(1).
MLA	Tang, Li-Yan,et al."High-precision nonadiabatic calculations of dynamic polarizabilities and hyperpolarizabilities for low-lying vibrational-rotational states of hydrogen molecular ions".PHYSICAL REVIEW A 90.1(2014).