THE IMPORTANCE OF THE GEOMETRIC PHASE EFFECT FOR THE H+D-2-]HD+D REACTION

被引:98
作者
WU, YSM
KUPPERMANN, A
机构
基金
美国国家科学基金会;
关键词
D O I
10.1016/0009-2614(95)00069-G
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 results of accurate quantum calculations of the differential cross sections for the H + D-2(upsilon, j) --> HD(upsilon', j') + D reaction which include the effect of the geometric phase differ significantly from those which do not include this effect, demonstrating its importance for that reaction. Recent measurements of the H + D-2(upsilon = 0, j = 0, 1, 2) --> HD(upsilon' all, j' all) + D angular distribution display a peak around 20 degrees directly attributable to this effect.
引用
收藏
页码:105 / 110
页数:6
相关论文
共 39 条
[1]   MEASUREMENT OF RELATIVE STATE-TO-STATE RATE CONSTANTS FOR THE REACTION D+H2(V,J)-]HD(V',J')+H [J].
ADELMAN, DE ;
SHAFER, NE ;
KLINER, DAV ;
ZARE, RN .
JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (10) :7323-7341
[2]   ANGLE-VELOCITY CONTOUR MAPS FOR THE H+D2-]HD+D REACTION FROM QUASI-CLASSICAL TRAJECTORY CALCULATIONS [J].
AOIZ, FJ ;
HERRERO, VJ ;
PUENTEDURA, O ;
RABANOS, VS .
JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (01) :758-759
[3]   QUANTUM-MECHANICAL AND QUASI-CLASSICAL CALCULATIONS FOR THE H+D-2-]HD+D REACTION - REACTION PROBABILITIES AND DIFFERENTIAL CROSS SECTIONS [J].
AOIZ, FJ ;
BANARES, L ;
DMELLO, MJ ;
HERRERO, VJ ;
RABANOS, VS ;
SCHNIEDER, L ;
WYATT, RE .
JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (07) :5781-5791
[4]   STATE-RESOLVED DIFFERENTIAL CROSS-SECTIONS FOR THE H+D2 (UPSILON = 0,J)-]HD (UPSILON', J')+D REACTION FROM QUASI-CLASSICAL TRAJECTORY CALCULATIONS [J].
AOIZ, FJ ;
HERRERO, VJ ;
PUENTEDURA, O ;
RABANOS, VS .
CHEMICAL PHYSICS LETTERS, 1992, 198 (3-4) :321-327
[5]   CROSSED MOLECULAR-BEAMS STUDY OF THE REACTION D+H-2-]DH+H AT COLLISION ENERGIES OF 0.53 AND 1.01 EV [J].
CONTINETTI, RE ;
BALKO, BA ;
LEE, YT .
JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (08) :5719-5740
[6]   HYPER-SPHERICAL COORDINATE REACTIVE SCATTERING USING VARIATIONAL SURFACE FUNCTIONS [J].
CUCCARO, SA ;
HIPES, PG ;
KUPPERMANN, A .
CHEMICAL PHYSICS LETTERS, 1989, 154 (02) :155-164
[7]   QUANTUM DYNAMICS OF THE H+D2-]D+HD REACTION - COMPARISON WITH EXPERIMENT [J].
DMELLO, M ;
MANOLOPOULOS, DE ;
WYATT, RE .
JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (09) :5985-5993
[8]  
DMELLO MJ, 1994, SCIENCE, V263, P102, DOI 10.1126/science.263.5143.102
[9]   INTERSECTION OF POTENTIAL ENERGY SURFACES IN POLYATOMIC MOLECULES [J].
HERZBERG, G ;
LONGUETHIGGINS, HC .
DISCUSSIONS OF THE FARADAY SOCIETY, 1963, (35) :77-&
[10]   MULTICHANNEL LOG-DERIVATIVE METHOD FOR SCATTERING CALCULATIONS [J].
JOHNSON, BR .
JOURNAL OF COMPUTATIONAL PHYSICS, 1973, 13 (03) :445-449