Quantum mechanical effects for a hydrogen atom confined in a dielectric spherical microcavity

被引:5
作者
Wang, De-hua [1 ]
Zhang, Jie [1 ]
Sun, Zhao-peng [1 ]
Zhang, Shu-fang [1 ]
Zhao, Gang [1 ]
机构
[1] Ludong Univ, Sch Phys & Optoelect Engn, Yantai 264025, Peoples R China
基金
中国国家自然科学基金;
关键词
Shannon entropy; Confinement; Dielectric spherical microcavity; ELECTRON; ENERGY; H-2(+); STATES;
D O I
10.1016/j.chemphys.2021.111331
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The quantum mechanical effects for a hydrogen atom confined in a dielectric spherical microcavity is discussed for the fist time. Especially we calculate the energy and Shannon entropy of this system. Some unexpected and interesting phenomena appear due to the effect of the dielectric spherical microcavity. Firstly, the energy of this system is not always negative. For smaller spherical microcavity, the energy can be positive. The turning radius for the bound energy changes from positive to negative depends on the dielectric constant of the spherical microcavity sensitively. Second, the dielectric spherical microcavity impacts the rearrangement of the excited state energy, and breaks the energy degeneracy of the excited states. At some given radius, there is energy crossover between different orbital. Third, the dielectric in the spherical microcavity affects the Shannon entropy change for the confined hydrogen atom greatly. When the size of the spherical microcavity is small, the Shannon entropy change is negative, which suggests that the electron density is localized. As we increase the radius of the microcavity, the Shannon entropy change becomes positive, and the confinement of the electron density gets delocalized. Our results show that we can control the quantum mechanical effects of the atom by changing the dielectric constant in the spherical microcavity. This work can guide the future experimental studies for trapping and manipulating of atoms and molecules in the external environment and has some practical applications in metrology and quantum information processing.
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页数:8
相关论文
共 35 条
[1]   Stable islands in chaotic atom-optics billiards, caused by curved trajectories [J].
Andersen, MF ;
Kaplan, A ;
Friedman, N ;
Davidson, N .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2002, 35 (09) :2183-2190
[2]   Highly accurate solutions for the confined hydrogen atom [J].
Aquino, N. ;
Campoy, G. ;
Montgomery, H. E., Jr. .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2007, 107 (07) :1548-1558
[3]   The confined hydrogen atom: a linear variational approach [J].
Aquino, N. ;
Rojas, R. A. .
EUROPEAN JOURNAL OF PHYSICS, 2016, 37 (01)
[4]   Shannon and Fisher entropies for a hydrogen atom under soft spherical confinement [J].
Aquino, N. ;
Flores-Riveros, A. ;
Rivas-Silva, J. F. .
PHYSICS LETTERS A, 2013, 377 (34-36) :2062-2068
[5]   ACCURATE ENERGY EIGENVALUES FOR ENCLOSED HYDROGEN-ATOM WITHIN SPHERICAL IMPENETRABLE BOXES [J].
AQUINO, N .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1995, 54 (02) :107-115
[6]  
Aquino N., 2014, ELECT STRUCTURE QUAN
[7]   DISSOCIATION-ENERGY OF THE HYDROGEN MOLECULE [J].
BALAKRISHNAN, A ;
SMITH, V ;
STOICHEFF, BP .
PHYSICAL REVIEW LETTERS, 1992, 68 (14) :2149-2152
[8]   How enzyme dynamics helps catalyze a reaction in atomic detail: A transition path sampling study [J].
Basner, JE ;
Schwartz, SD .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2005, 127 (40) :13822-13831
[9]   Quantum chemistry of confined systems: structure and vibronic spectra of a confined hydrogen molecule [J].
Bielinska-Waz, D ;
Diercksen, GHF ;
Klobukowski, M .
CHEMICAL PHYSICS LETTERS, 2001, 349 (3-4) :215-219
[10]   HYDROGENIC IMPURITY STATES IN QUANTUM DOTS AND QUANTUM WIRES [J].
CHUU, DS ;
HSIAO, CM ;
MEI, WN .
PHYSICAL REVIEW B, 1992, 46 (07) :3898-3905