Variational theory of angulons and their rotational spectroscopy

doi:10.1063/5.0135893

CORC > 理论物理研究所 > 中国科学院理论物理研究所 > 理论物理所科研产出 > 理论物理所1978-2010年知识产出

	Variational theory of angulons and their rotational spectroscopy
	Zeng, Zhongda 1,2; Yakaboylu, Enderalp ; Lemeshko, Mikhail 3; Shi, Tao 4,5; Schmidt, Richard 6
刊名	JOURNAL OF CHEMICAL PHYSICS
	2023
卷号	158 期号:13 页码:134301
关键词	HELIUM DROPLETS MOLECULES DYNAMICS
ISSN号	0021-9606
DOI	10.1063/5.0135893
英文摘要	The angulon, a quasiparticle formed by a quantum rotor dressed by the excitations of a many-body bath, can be used to describe an impurity rotating in a fluid or solid environment. Here, we propose a coherent state ansatz in the co-rotating frame, which provides a comprehensive theoretical description of angulons. We reveal the quasiparticle properties, such as energies, quasiparticle weights, and spectral functions, and show that our ansatz yields a persistent decrease in the impurity's rotational constant due to many-body dressing, which is consistent with experimental observations. From our study, a picture of the angulon emerges as an effective spin interacting with a magnetic field that is self-consistently generated by the molecule's rotation. Moreover, we discuss rotational spectroscopy, which focuses on the response of rotating molecules to a laser perturbation in the linear response regime. Importantly, we take into account initial-state interactions that have been neglected in prior studies and reveal their impact on the excitation spectrum. To examine the angulon instability regime, we use a singleexcitation ansatz and obtain results consistent with experiments, in which a broadening of spectral lines is observed while phonon wings remain highly suppressed due to initial-state interactions. (c) 2023 Author(s).
学科主题	Chemistry ; Physics
语种	英语
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/28107]
专题	理论物理研究所_理论物理所1978-2010年知识产出
作者单位	1.Max Planck Inst Quantum Opt, D-85748 Garching, Germany 2.Univ Innsbruck, Inst Theoret Phys, A-6020 Innsbruck, Austria 3.Austrian Acad Sci, Inst Quantum Opt & Quantum Informat, A-6020 Innsbruck, Austria 4.IST Austria, Campus 1, A-3400 Klosterneuburg, Austria 5.Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, Beijing 100190, Peoples R China 6.Univ Chinese Acad Sci, CAS Ctr Excellence Topol Quantum Computat, Sch Phys Sci, Beijing 100049, Peoples R China 7.Heidelberg Univ, Inst Theoret Phys, D-69120 Heidelberg, Germany
推荐引用方式 GB/T 7714	Zeng, Zhongda,Yakaboylu, Enderalp,Lemeshko, Mikhail,et al. Variational theory of angulons and their rotational spectroscopy[J]. JOURNAL OF CHEMICAL PHYSICS,2023,158(13):134301.
APA	Zeng, Zhongda,Yakaboylu, Enderalp,Lemeshko, Mikhail,Shi, Tao,&Schmidt, Richard.(2023).Variational theory of angulons and their rotational spectroscopy.JOURNAL OF CHEMICAL PHYSICS,158(13),134301.
MLA	Zeng, Zhongda,et al."Variational theory of angulons and their rotational spectroscopy".JOURNAL OF CHEMICAL PHYSICS 158.13(2023):134301.