Quantum tunneling dynamics using hydrodynamic trajectories

被引:77
作者
Bittner, ER [1 ]
机构
[1] Univ Houston, Dept Chem, Houston, TX 77204 USA
关键词
D O I
10.1063/1.481607
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
In this paper we compute quantum trajectories arising from Bohm's causal description of quantum mechanics. Our computational methodology is based upon a finite-element moving least-squares method (MWLS) presented recently by Wyatt and co-workers [Lopreore and Wyatt, Phys. Rev. Lett. 82, 5190 (1999)]. This method treats the "particles" in the quantum Hamilton-Jacobi equation as Lagrangian fluid elements that carry the phase, S, and density, rho, required to reconstruct the quantum wave function. Here, we compare results obtained via the MWLS procedure to exact results obtained either analytically or by numerical solution of the time-dependent Schrodinger equation. Two systems are considered: first, dynamics in a harmonic well and second, tunneling dynamics in a double well potential. In the case of tunneling in the double well potential, the quantum potential acts to lower the barrier, separating the right- and left-hand sides of the well, permitting trajectories to pass from one side to another. However, as probability density passes from one side to the other, the effective barrier begins to rise and eventually will segregate trajectories in one side from the other. We note that the MWLS trajectories exhibited long time stability in the purely harmonic cases. However, this stability was not evident in the barrier crossing dynamics. Comparisons to exact trajectories obtained via wave packet calculations indicate that the MWLS trajectories tend to underestimate the effects of constructive and destructive interference effects. (C) 2000 American Institute of Physics. [S0021-9606(00)00722-4].
引用
收藏
页码:9703 / 9710
页数:8
相关论文
共 27 条
[1]  
[Anonymous], UNPUB
[2]  
Aris R., 1962, VECTORS TENSORS BASI
[3]   WAVE PACKET DYNAMICS ON 2-DIMENSIONAL QUADRATIC POTENTIAL SURFACES [J].
ASKAR, A ;
WEINER, JH .
AMERICAN JOURNAL OF PHYSICS, 1971, 39 (10) :1230-&
[4]   VARIATIONAL TIME-DEPENDENT PERTURBATION SCHEME BASED ON HYDRODYNAMIC ANALOGY TO SCHRODINGERS EQUATION [J].
ASKAR, A ;
DEMIRALP, M .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) :2762-2766
[5]  
BOHM D, 1952, PHYS REV, V85, P166, DOI 10.1103/PhysRev.85.166
[6]   A SUGGESTED INTERPRETATION OF THE QUANTUM THEORY IN TERMS OF HIDDEN VARIABLES .2. [J].
BOHM, D .
PHYSICAL REVIEW, 1952, 85 (02) :180-193
[7]  
Broglie Louis de, 1932, THEORIE QUANTIFICATI
[8]  
de Broglie L., 1927, CR HEBD ACAD SCI, V183, P447
[9]  
de Broglie L., 1928, SELECTED PAPERS WAVE
[10]  
de Broglie L., 1930, INTRO STUDY WAVE MEC