Evolution of quantum system in order domain of Chebyshev operator

被引:186
作者
Chen, RQ
Guo, H
机构
[1] Department of Chemistry, University of Toledo, Toledo
关键词
D O I
10.1063/1.472228
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
A cosine transform between the order and angle of the Chebyshev operator is identified. Because the order and angle form a conjugate pair similar to energy and time, the Chebyshev state can be considered as a cosine-type evolution state in the order domain, analogous to a time-dependent wave packet. The order/angle formulation is analytically equivalent to the time/energy formulation, but the former may have some numerical advantages in certain applications. This is illustrated by examining the spectral method and the filter-diagonalization method in both formulations. (C) 1996 American Institute of Physics.
引用
收藏
页码:3569 / 3578
页数:10
相关论文
共 33 条
[1]   SOLUTION OF THE TIME-DEPENDENT LIOUVILLE-VONNEUMANN EQUATION - DISSIPATIVE EVOLUTION [J].
BERMAN, M ;
KOSLOFF, R ;
TALEZER, H .
JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 1992, 25 (05) :1283-1307
[2]  
Boyd J. P., 1989, Chebyshev and Fourier Spectral Methods, V1st
[3]  
BROECKHOVE J, 1992, TIME DEPENDENT QUANT
[4]  
CHEN R, 1996, CHEM PHYS LETT, V201, P252
[5]   A general and efficient filter-diagonalization method without time propagation [J].
Chen, RQ ;
Guo, H .
JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (04) :1311-1317
[6]   NOISE-FREE SPECTRUM FOR TIME-DEPENDENT CALCULATION OF EIGENENERGIES [J].
DAI, JQ ;
ZHANG, JZH .
JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (04) :1491-1497
[7]   Time-dependent spectral calculation of bound and resonance energies of HO2 [J].
Dai, JQ ;
Zhang, JZH .
JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (10) :3664-3671
[8]   THE CALCULATION OF AUTOCORRELATION FUNCTIONS FOR SPECTROSCOPY [J].
ENGEL, V .
CHEMICAL PHYSICS LETTERS, 1992, 189 (01) :76-78
[9]   SOLUTION OF THE SCHRODINGER-EQUATION BY A SPECTRAL METHOD [J].
FEIT, MD ;
FLECK, JA ;
STEIGER, A .
JOURNAL OF COMPUTATIONAL PHYSICS, 1982, 47 (03) :412-433
[10]   WAVE PACKET DYNAMICS OF RESONANCE DECAY - AN ITERATIVE EQUATION APPROACH WITH APPLICATION TO HCO-]H+CO [J].
GRAY, SK .
JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (09) :6543-6554