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INTEGRAL TOTAL REACTIVE CROSS-SECTION CALCULATIONS WITHIN THE INFINITE-ORDER SUDDEN APPROXIMATION
被引:33
作者
:
BAER, M
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Theoretical Physics and Applied Mathematics, Soreq Nuclear Research Centre, Yavne
BAER, M
KHARE, V
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Theoretical Physics and Applied Mathematics, Soreq Nuclear Research Centre, Yavne
KHARE, V
KOURI, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Theoretical Physics and Applied Mathematics, Soreq Nuclear Research Centre, Yavne
KOURI, DJ
机构
:
[1]
Department of Theoretical Physics and Applied Mathematics, Soreq Nuclear Research Centre, Yavne
[2]
Department of Chemical Physics, Weizmann Institute, Rehovot
[3]
Departments of Chemistry and Physics, University of Houston, Houston
来源
:
CHEMICAL PHYSICS LETTERS
|
1979年
/ 68卷
/ 2-3期
关键词
:
D O I
:
10.1016/0009-2614(79)87220-6
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 initiafl l-labelled reactive infinite order sudden (IOS) approximation as formulated recently by Khare et al. is used to calculate integral total cross sections for the H + H2 reaction. Results are given over the energy range 0.5 to 1.0 eV. Comparisons with accurate converged close coupling (CC) and classical results are made and good agreement is obtained. The method should be useful in the theoretical analysis of experiments. © 1979.
引用
收藏
页码:378 / 381
页数:4
相关论文
共 15 条
[1]
SUDDEN APPROXIMATION APPLIED TO ROTATIONAL EXCITATION OF MOLECULES BY ATOMS .2. SCATTERING OF POLAR DIATOMICS
BERNSTEIN, RB
论文数:
0
引用数:
0
h-index:
0
BERNSTEIN, RB
KRAMER, KH
论文数:
0
引用数:
0
h-index:
0
KRAMER, KH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(12)
: 4473
-
+
[2]
SUDDEN ROTATION CALCULATIONS OF THE H+H2(UPSILON=1,J=0) REACTION
BOWMAN, JM
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Illinois Institute of Technology, Chicago
BOWMAN, JM
LEE, KT
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Illinois Institute of Technology, Chicago
LEE, KT
[J].
CHEMICAL PHYSICS LETTERS,
1979,
64
(02)
: 291
-
294
[3]
MOLECULAR COLLISIONS .8.
CURTISS, CF
论文数:
0
引用数:
0
h-index:
0
CURTISS, CF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(04)
: 1952
-
&
[4]
MOLECULAR COLLISIONS .6. DIAGRAMMATIC METHODS
CURTISS, CF
论文数:
0
引用数:
0
h-index:
0
机构:
Theoretical Chemistry Institute, University of Wisconsin, Madison, WI
CURTISS, CF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(04)
: 1725
-
&
[5]
3-DIMENSIONAL NATURAL COORDINATE ASYMMETRIC TOP THEORY OF REACTIONS - APPLICATION TO H + H2
ELKOWITZ, AB
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引用数:
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h-index:
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机构:
UNIV TEXAS,DEPT PHYS,AUSTIN,TX 78712
ELKOWITZ, AB
WYATT, RE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT PHYS,AUSTIN,TX 78712
WYATT, RE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(02)
: 702
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721
[6]
QUANTUM-MECHANICAL REACTION CROSS-SECTIONS FOR 3-DIMENSIONAL HYDROGEN-EXCHANGE REACTION
ELKOWITZ, AB
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UNIV TEXAS,DEPT PHYS,AUSTIN,TX 78712
ELKOWITZ, AB
WYATT, RE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT PHYS,AUSTIN,TX 78712
WYATT, RE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(06)
: 2504
-
2506
[7]
EXCHANGE REACTIONS WITH ACTIVATION ENERGY .I. SIMPLE BARRIER POTENTIAL FOR (H,H2)
KARPLUS, M
论文数:
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KARPLUS, M
SHARMA, RD
论文数:
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引用数:
0
h-index:
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SHARMA, RD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(09)
: 3259
-
&
[8]
INFINITE-ORDER SUDDEN APPROXIMATION FOR REACTIVE SCATTERING .1. BASIC L-LABELED FORMULATION
KHARE, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON, DEPT PHYS, HOUSTON, TX 77004 USA
KHARE, V
KOURI, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON, DEPT PHYS, HOUSTON, TX 77004 USA
KOURI, DJ
BAER, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON, DEPT PHYS, HOUSTON, TX 77004 USA
BAER, M
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(03)
: 1188
-
1205
[9]
KOURI DJ, 1979, ATOM MOL COLLISION T
[10]
QUANTUM-MECHANICAL REACTIVE SCATTERING FOR PLANAR ATOM PLUS DIATOM SYSTEMS .1. THEORY
KUPPERMANN, A
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
KUPPERMANN, A
SCHATZ, GC
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
SCHATZ, GC
BAER, M
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
BAER, M
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(11)
: 4596
-
4623
←
1
2
→
共 15 条
[1]
SUDDEN APPROXIMATION APPLIED TO ROTATIONAL EXCITATION OF MOLECULES BY ATOMS .2. SCATTERING OF POLAR DIATOMICS
BERNSTEIN, RB
论文数:
0
引用数:
0
h-index:
0
BERNSTEIN, RB
KRAMER, KH
论文数:
0
引用数:
0
h-index:
0
KRAMER, KH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(12)
: 4473
-
+
[2]
SUDDEN ROTATION CALCULATIONS OF THE H+H2(UPSILON=1,J=0) REACTION
BOWMAN, JM
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Illinois Institute of Technology, Chicago
BOWMAN, JM
LEE, KT
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Illinois Institute of Technology, Chicago
LEE, KT
[J].
CHEMICAL PHYSICS LETTERS,
1979,
64
(02)
: 291
-
294
[3]
MOLECULAR COLLISIONS .8.
CURTISS, CF
论文数:
0
引用数:
0
h-index:
0
CURTISS, CF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(04)
: 1952
-
&
[4]
MOLECULAR COLLISIONS .6. DIAGRAMMATIC METHODS
CURTISS, CF
论文数:
0
引用数:
0
h-index:
0
机构:
Theoretical Chemistry Institute, University of Wisconsin, Madison, WI
CURTISS, CF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(04)
: 1725
-
&
[5]
3-DIMENSIONAL NATURAL COORDINATE ASYMMETRIC TOP THEORY OF REACTIONS - APPLICATION TO H + H2
ELKOWITZ, AB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT PHYS,AUSTIN,TX 78712
ELKOWITZ, AB
WYATT, RE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT PHYS,AUSTIN,TX 78712
WYATT, RE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(02)
: 702
-
721
[6]
QUANTUM-MECHANICAL REACTION CROSS-SECTIONS FOR 3-DIMENSIONAL HYDROGEN-EXCHANGE REACTION
ELKOWITZ, AB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT PHYS,AUSTIN,TX 78712
ELKOWITZ, AB
WYATT, RE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT PHYS,AUSTIN,TX 78712
WYATT, RE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(06)
: 2504
-
2506
[7]
EXCHANGE REACTIONS WITH ACTIVATION ENERGY .I. SIMPLE BARRIER POTENTIAL FOR (H,H2)
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
KARPLUS, M
SHARMA, RD
论文数:
0
引用数:
0
h-index:
0
SHARMA, RD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(09)
: 3259
-
&
[8]
INFINITE-ORDER SUDDEN APPROXIMATION FOR REACTIVE SCATTERING .1. BASIC L-LABELED FORMULATION
KHARE, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON, DEPT PHYS, HOUSTON, TX 77004 USA
KHARE, V
KOURI, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON, DEPT PHYS, HOUSTON, TX 77004 USA
KOURI, DJ
BAER, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON, DEPT PHYS, HOUSTON, TX 77004 USA
BAER, M
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(03)
: 1188
-
1205
[9]
KOURI DJ, 1979, ATOM MOL COLLISION T
[10]
QUANTUM-MECHANICAL REACTIVE SCATTERING FOR PLANAR ATOM PLUS DIATOM SYSTEMS .1. THEORY
KUPPERMANN, A
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
KUPPERMANN, A
SCHATZ, GC
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
SCHATZ, GC
BAER, M
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
BAER, M
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(11)
: 4596
-
4623
←
1
2
→