A program for performing exact quantum dynamics calculations using cylindrical polar coordinates: A nanotube application
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Abstract
A program that uses the time-dependent wavepacket method to study the motion of structureless particles in a force field of quasi-cylindrical symmetry is presented here. The program utilises cylindrical polar coordinates to express the wavepacket, which is subsequently propagated using a Chebyshev expansion of the Schrödinger propagator. Time-dependent exit flux as well as energy-dependent S matrix elements can be obtained for all states of the particle (describing its angular momentum compon...
Title of program: CYLWAVE
Catalogue Id: AECL_v1_0
Nature of problem
Time evolution of the state of a structureless particle in a quasicylindrical potential
Versions of this program held in the CPC repository in Mendeley Data
AECL_v1_0; CYLWAVE; 10.1016/j.cpc.2008.10.016
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
创建时间：
2020-01-06
