Quantum dressed classical mechanics

被引:27
作者
Billing, GD [1 ]
机构
[1] Univ Copenhagen, HC Orsted Inst, Dept Chem, DK-2100 Copenhagen O, Denmark
关键词
D O I
10.1063/1.1357787
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
We have formulated a new way of making quantum corrections to classical mechanics. The method is based on a time-dependent discrete variable representation (DVR) of the wave function with grid points defined by the Hermite part of a basis set, the Gauss-Hermite basis set. The formulation introduces a set of grid points which follow the classical trajectory in space. With enough trajectories (DVR-points) the method approaches the exact quantum formulation. With just a single grid point in each dimension, we recover classical mechanics. (C) 2001 American Institute of Physics.
引用
收藏
页码:6641 / 6653
页数:13
相关论文
共 42 条
[1]   The Hermite correction method for nonadiabatic transitions [J].
Adhikari, S ;
Billing, GD .
JOURNAL OF CHEMICAL PHYSICS, 1999, 111 (01) :48-53
[2]   Four-dimensional quantum and two-dimensional classical mechanical study of molecule-surface interactions [J].
Adhikari, S ;
Billing, GD .
JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (08) :3884-3889
[3]   A time-dependent discrete variable representation method [J].
Adhikari, S ;
Billing, GD .
JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (04) :1409-1414
[4]   Hermits correction method in hyperspherical coordinates: Application to chemical reactions [J].
Adhikari, S ;
Billing, GD .
CHEMICAL PHYSICS LETTERS, 1999, 305 (1-2) :109-116
[5]   HIGHLY EXCITED VIBRATIONAL LEVELS OF FLOPPY TRIATOMIC-MOLECULES - A DISCRETE VARIABLE REPRESENTATION - DISTRIBUTED GAUSSIAN-BASIS APPROACH [J].
BACIC, Z ;
LIGHT, JC .
JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (08) :4594-4604
[6]  
Billing G. D., 1997, ADV MOL DYNAMICS CHE
[7]   Quantum corrections to the classical path equations: Multitrajectory and Hermite corrections [J].
Billing, GD .
JOURNAL OF CHEMICAL PHYSICS, 1997, 107 (11) :4286-4294
[8]   CLASSICAL PATH METHOD IN INELASTIC AND REACTIVE SCATTERING [J].
BILLING, GD .
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 1994, 13 (02) :309-335
[9]  
BILLING GD, 1984, COMPUT PHYS REP, V1, P237, DOI 10.1016/0167-7977(84)90006-6
[10]   Inelastic scattering by a time-dependent discrete variable representation method [J].
Billing, GD .
CHEMICAL PHYSICS, 2001, 264 (01) :71-80