共 32 条
Plane wave packet study of direct and time-delayed mechanisms in the F+HD reaction
被引:32
作者:

Althorpe, SC
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Exeter, Sch Chem, Exeter EX4 4QD, Devon, England Univ Exeter, Sch Chem, Exeter EX4 4QD, Devon, England
机构:
[1] Univ Exeter, Sch Chem, Exeter EX4 4QD, Devon, England
关键词:
D O I:
10.1016/S0009-2614(03)00105-2
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 recently developed plane wave packet method is applied to the F + HD reaction on the Stark-Werner potential surface, yielding converged differential cross-sections (d.c.s.) over the collision energy range E = 0-0.15 eV. A wave packet 'movie' is obtained showing how the HF product scatters into space. Two direct and two time-delayed mechanisms are observed. One of the latter corresponds to a recently observed Feshbach resonance. The movie is related to the energy-dependent d.c.s. by a time-dependent d.c.s., which reveals quantum interference between the direct and time-delayed mechanisms. (C) 2003 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:443 / 450
页数:8
相关论文
共 32 条
[1]
An investigation of the F+H2 reaction based on a full ab initio description of the open-shell character of the F(2P) atom
[J].
Alexander, MH
;
Manolopoulos, DE
;
Werner, HJ
.
JOURNAL OF CHEMICAL PHYSICS,
2000, 113 (24)
:11084-11100

Alexander, MH
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA

Manolopoulos, DE
论文数: 0 引用数: 0
h-index: 0
机构: Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA

Werner, HJ
论文数: 0 引用数: 0
h-index: 0
机构: Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA
[2]
Time-dependent plane wave packet formulation of quantum scattering with application to H+D2→HD+D
[J].
Althorpe, SC
.
JOURNAL OF CHEMICAL PHYSICS,
2002, 117 (10)
:4623-4627

Althorpe, SC
论文数: 0 引用数: 0
h-index: 0
机构: Univ Durham, Dept Chem, Durham DH1 3LE, England
[3]
Observation and interpretation of a time-delayed mechanism in the hydrogen exchange reaction
[J].
Althorpe, SC
;
Fernández-Alonso, F
;
Bean, BD
;
Ayers, JD
;
Pomerantz, AE
;
Zare, RN
;
Wrede, E
.
NATURE,
2002, 416 (6876)
:67-70

Althorpe, SC
论文数: 0 引用数: 0
h-index: 0
机构: Univ Durham, Dept Chem, Durham DH1 3LE, England

Fernández-Alonso, F
论文数: 0 引用数: 0
h-index: 0
机构: Univ Durham, Dept Chem, Durham DH1 3LE, England

Bean, BD
论文数: 0 引用数: 0
h-index: 0
机构: Univ Durham, Dept Chem, Durham DH1 3LE, England

Ayers, JD
论文数: 0 引用数: 0
h-index: 0
机构: Univ Durham, Dept Chem, Durham DH1 3LE, England

Pomerantz, AE
论文数: 0 引用数: 0
h-index: 0
机构: Univ Durham, Dept Chem, Durham DH1 3LE, England

Zare, RN
论文数: 0 引用数: 0
h-index: 0
机构: Univ Durham, Dept Chem, Durham DH1 3LE, England

Wrede, E
论文数: 0 引用数: 0
h-index: 0
机构: Univ Durham, Dept Chem, Durham DH1 3LE, England
[4]
Quantum wavepacket method for state-to-state reactive cross sections
[J].
Althorpe, SC
.
JOURNAL OF CHEMICAL PHYSICS,
2001, 114 (04)
:1601-1616

Althorpe, SC
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Durham, Dept Chem, Durham DH1 3LE, England Univ Durham, Dept Chem, Durham DH1 3LE, England
[5]
Further partitioning of the reactant-product decoupling equations of state-to-state reactive scattering and their solution by the time-independent wave-packet method
[J].
Althorpe, SC
;
Kouri, DJ
;
Hoffman, DK
.
JOURNAL OF CHEMICAL PHYSICS,
1997, 107 (19)
:7816-7824

Althorpe, SC
论文数: 0 引用数: 0
h-index: 0
机构: UNIV HOUSTON,DEPT PHYS,HOUSTON,TX 77204

Kouri, DJ
论文数: 0 引用数: 0
h-index: 0
机构: UNIV HOUSTON,DEPT PHYS,HOUSTON,TX 77204

Hoffman, DK
论文数: 0 引用数: 0
h-index: 0
机构: UNIV HOUSTON,DEPT PHYS,HOUSTON,TX 77204
[6]
THE F+HD-]DF(HF)+H(D) REACTION REVISITED - QUASI-CLASSICAL TRAJECTORY STUDY ON AN AB-INITIO POTENTIAL-ENERGY SURFACE AND COMPARISON WITH MOLECULAR-BEAM EXPERIMENTS
[J].
AOIZ, FJ
;
BANARES, L
;
HERRERO, VJ
;
RABANOS, VS
;
STARK, K
;
WERNER, HJ
.
JOURNAL OF CHEMICAL PHYSICS,
1995, 102 (23)
:9248-9262

AOIZ, FJ
论文数: 0 引用数: 0
h-index: 0
机构: CSIC,INST ESTRUCTURA MAT,E-28006 MADRID,SPAIN

BANARES, L
论文数: 0 引用数: 0
h-index: 0
机构: CSIC,INST ESTRUCTURA MAT,E-28006 MADRID,SPAIN

HERRERO, VJ
论文数: 0 引用数: 0
h-index: 0
机构: CSIC,INST ESTRUCTURA MAT,E-28006 MADRID,SPAIN

RABANOS, VS
论文数: 0 引用数: 0
h-index: 0
机构: CSIC,INST ESTRUCTURA MAT,E-28006 MADRID,SPAIN

STARK, K
论文数: 0 引用数: 0
h-index: 0
机构: CSIC,INST ESTRUCTURA MAT,E-28006 MADRID,SPAIN

WERNER, HJ
论文数: 0 引用数: 0
h-index: 0
机构: CSIC,INST ESTRUCTURA MAT,E-28006 MADRID,SPAIN
[7]
Ab initio simulation of molecular beam experiments for the F+H-2->HF+H reaction
[J].
Aoiz, FJ
;
Banares, L
;
MartinezHaya, B
;
Castillo, JF
;
Manolopoulos, DE
;
Stark, K
;
Werner, HJ
.
JOURNAL OF PHYSICAL CHEMISTRY A,
1997, 101 (36)
:6403-6414

Aoiz, FJ
论文数: 0 引用数: 0
h-index: 0
机构: UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND

Banares, L
论文数: 0 引用数: 0
h-index: 0
机构: UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND

MartinezHaya, B
论文数: 0 引用数: 0
h-index: 0
机构: UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND

Castillo, JF
论文数: 0 引用数: 0
h-index: 0
机构: UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND

Manolopoulos, DE
论文数: 0 引用数: 0
h-index: 0
机构: UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND

Stark, K
论文数: 0 引用数: 0
h-index: 0
机构: UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND

Werner, HJ
论文数: 0 引用数: 0
h-index: 0
机构: UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
[8]
Exact reaction dynamics by the hyperquantization algorithm:: integral and differential cross sections for F+H2, including long-range and spin orbit effects
[J].
Aquilanti, V
;
Cavalli, S
;
De Fazio, D
;
Volpi, A
;
Aguilar, A
;
Giménez, X
;
Lucas, JM
.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS,
2002, 4 (03)
:401-415

Aquilanti, V
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy

Cavalli, S
论文数: 0 引用数: 0
h-index: 0
机构: Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy

论文数: 引用数:
h-index:
机构:

Volpi, A
论文数: 0 引用数: 0
h-index: 0
机构: Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy

Aguilar, A
论文数: 0 引用数: 0
h-index: 0
机构: Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy

Giménez, X
论文数: 0 引用数: 0
h-index: 0
机构: Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy

Lucas, JM
论文数: 0 引用数: 0
h-index: 0
机构: Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy
[9]
Quantum mechanical angular distributions for the F+H-2 reaction
[J].
Castillo, JF
;
Manolopoulos, DE
;
Stark, K
;
Werner, HJ
.
JOURNAL OF CHEMICAL PHYSICS,
1996, 104 (17)
:6531-6546

Castillo, JF
论文数: 0 引用数: 0
h-index: 0
机构:
UNIV STUTTGART,INST THEORET CHEM,D-70569 STUTTGART,GERMANY UNIV STUTTGART,INST THEORET CHEM,D-70569 STUTTGART,GERMANY

Manolopoulos, DE
论文数: 0 引用数: 0
h-index: 0
机构:
UNIV STUTTGART,INST THEORET CHEM,D-70569 STUTTGART,GERMANY UNIV STUTTGART,INST THEORET CHEM,D-70569 STUTTGART,GERMANY

Stark, K
论文数: 0 引用数: 0
h-index: 0
机构:
UNIV STUTTGART,INST THEORET CHEM,D-70569 STUTTGART,GERMANY UNIV STUTTGART,INST THEORET CHEM,D-70569 STUTTGART,GERMANY

Werner, HJ
论文数: 0 引用数: 0
h-index: 0
机构:
UNIV STUTTGART,INST THEORET CHEM,D-70569 STUTTGART,GERMANY UNIV STUTTGART,INST THEORET CHEM,D-70569 STUTTGART,GERMANY
[10]
Quantum mechanical angular distributions for the F plus HD reaction
[J].
Castillo, JF
;
Manolopoulos, DE
.
FARADAY DISCUSSIONS,
1998, 110
:119-138

Castillo, JF
论文数: 0 引用数: 0
h-index: 0
机构:
Phys & Theoret Chem Lab, S Parks Rd, Oxford OX1 3QZ, England Phys & Theoret Chem Lab, S Parks Rd, Oxford OX1 3QZ, England

Manolopoulos, DE
论文数: 0 引用数: 0
h-index: 0
机构:
Phys & Theoret Chem Lab, S Parks Rd, Oxford OX1 3QZ, England Phys & Theoret Chem Lab, S Parks Rd, Oxford OX1 3QZ, England