Semiclassical dynamics in the coherent control of nonadiabatic ICN photodissociation

被引:22
作者
Batista, VS [1 ]
Brumer, P
机构
[1] Univ Toronto, Chem Phys Theory Grp, Toronto, ON M5S 3H6, Canada
[2] Univ Toronto, Dept Chem, Toronto, ON M5S 3H6, Canada
[3] Univ Toronto, Photon Res Ontario, Toronto, ON M5S 3H6, Canada
关键词
D O I
10.1021/jp0035939
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
The utility of a semiclassical initial value representation (SC-IVR) to simulate coherent control is explored. Specifically, bichromatic control of the state specific ICN photodissociation in the (A) over tilde continuum is investigated both quantum mechanically and semiclassically, and the ability of the SC-IVR method to reproduce phases of transition matrix element products is examined. Control over the I(P-2(1/2))II(P-2(3/2)) product ratio is considerable and the resultant semiclassical photofragmentation ratios are in good agreement with full quantum dynamics calculations.
引用
收藏
页码:2591 / 2598
页数:8
相关论文
共 29 条
[21]   UNIFORM SEMICLASSICAL WAVE-PACKET PROPAGATION AND EIGENSTATE EXTRACTION IN A SMOOTH CHAOTIC SYSTEM [J].
PROVOST, D ;
BRUMER, P .
PHYSICAL REVIEW LETTERS, 1995, 74 (02) :250-253
[22]   AB-INITIO STRUCTURE AND WAVE-PACKET DYNAMICS OF ICN PHOTODISSOCIATION [J].
QIAN, JW ;
TANNOR, DJ ;
AMATATSU, Y ;
MOROKUMA, K .
JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (11) :9597-9609
[23]   Initial value representation for the classical propagator and S-matrix with the help of coherent states [J].
Shalashilin, DV ;
Jackson, B .
CHEMICAL PHYSICS LETTERS, 1998, 291 (1-2) :143-152
[24]   Coherent control of atomic molecular, and electronic processes [J].
Shapiro, M ;
Brumer, P .
ADVANCES IN ATOMIC MOLECULAR, AND OPTICAL PHYSICS, VOL. 42, 2000, 42 :287-345
[25]  
SHAPIRO M, 1987, FARADAY DISCUSS, V82, P177
[26]   Semiclassical description of nonadiabatic quantum dynamics [J].
Stock, G ;
Thoss, M .
PHYSICAL REVIEW LETTERS, 1997, 78 (04) :578-581
[27]   Forward-backward initial value representation for semiclassical time correlation functions [J].
Sun, X ;
Miller, WH .
JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (14) :6635-6644
[28]   MOLECULAR-DYNAMICS WITH ELECTRONIC-TRANSITIONS [J].
TULLY, JC .
JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (02) :1061-1071
[29]   Semiclassical study of electronically nonadiabatic dynamics in the condensed-phase: Spin-boson problem with Debye spectral density [J].
Wang, HB ;
Song, XY ;
Chandler, D ;
Miller, WH .
JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (10) :4828-4840