Comparison of 3D classical and quantum mechanical He scattering on Rh(311)

被引:5
作者
Balázs, E
Varga, G
Füstöss, L
机构
[1] Budapest Univ Technol & Econ, Inst Phys, H-1111 Budapest, Hungary
[2] Hungarian Acad Sci, Res Inst Tech Phys & Mat Sci, Theoret Phys Lab, H-1525 Budapest, Hungary
关键词
noble gases; atom-solid interactions; scattering; diffraction; computer simulations; rhodium; single crystal surfaces;
D O I
10.1016/S0039-6028(01)00724-5
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
He-clean Rh(3 1 1) scattering has been discussed within the frame of classical and quantum mechanics. These models of thermal energy atomic scattering on solid surfaces are based on the one particle problem. In the classical case the mass point of the He atom is scattered on the interaction potential of He-Rh(3 1 1) system. The classical equation of motion is solved. The scattering has been investigated as a function of impact parameters. Detailed computations show three-dimensional chaotic effects on trajectories, phase diagrams, deflection angle function and dwell time function. In the case of quantum mechanical model the He atomic beam is described as a Gaussian wave packet. Its time propagation is governed by the time dependent Schrodinger equation. Both the classical and quantum models show trapping effect. The classical model shows chaotic scattering and a non-realistic intensity distribution. The more realistic quantum model provides correct intensity distribution but no trace of chaotic scattering. The results underline the idea that many published classical chaotic computations do not describe any real physical system. (C) 2001 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:1145 / 1151
页数:7
相关论文
共 18 条