Total differential cross sections for Ar-CH4 from an ab initio potential

被引：10

作者：

Heijmen, TGA

Moszynski, R

Wormer, PES

van der Avoird, A

Buck, U

Steinbach, C

Hutson, JM

机构：

[1] Catholic Univ Nijmegen, Inst Theoret Chem, NSR Ctr, NL-6525 ED Nijmegen, Netherlands

[2] Univ Warsaw, Dept Chem, PL-02093 Warsaw, Poland

[3] Max Planck Inst Stromungsforsch, D-37073 Gottingen, Germany

[4] Univ Durham, Dept Chem, Durham DH1 3LE, England

来源：

JOURNAL OF CHEMICAL PHYSICS | 1998年 / 108卷 / 12期

关键词：

D O I：

10.1063/1.475894

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：

Total differential cross sections for the Ar-CH4 scattering complex at E-CM=90.1 meV were obtained from converged close-coupling calculations based on a recent ab initio potential computed by symmetry-adapted perturbation theory (SAPT). Agreement with experiment is good, which demonstrates the accuracy of the SAPT potential. (C) 1998 American Institute of Physics.

引用

收藏

页码：4849 / 4853

页数：5

相关论文

共 25 条

[1] A STABLE LINEAR REFERENCE POTENTIAL ALGORITHM FOR SOLUTION OF THE QUANTUM CLOSE-COUPLED EQUATIONS IN MOLECULAR-SCATTERING THEORY [J].

ALEXANDER, MH ;

MANOLOPOULOS, DE .

JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (04) :2044-2050

[2]

[Anonymous], 1979, ATOM MOL COLLISION T

[3] ON THE ARGON-METHANE INTERACTION FROM SCATTERING DATA [J].

BUCK, U ;

SCHLEUSENER, J ;

MALIK, DJ ;

SECREST, D .

JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (03) :1707-1717

[4] DIFFERENTIAL ENERGY-LOSS SPECTRA FOR CH4 + AR COLLISIONS [J].

BUCK, U ;

KOHLHASE, A ;

PHILLIPS, T ;

SECREST, D .

CHEMICAL PHYSICS LETTERS, 1983, 98 (02) :199-202

[5]

Buck U., 1988, ATOMIC MOL BEAM METH, V1

[6] Rotationally inelastic scattering in CH4+He, Ne, and Ar: State-to-state cross sections via direct infrared laser absorption in crossed supersonic jets [J].

Chapman, WB ;

Schiffman, A ;

Hutson, JM ;

Nesbitt, DJ .

JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (09) :3497-3516

[7]

GREEN S, 1996, DCS COMPUTER CODE VE

[8] Ab initio potential-energy surface and rotationally inelastic integral cross sections of the Ar-CH4 complex [J].

Heijman, TGA ;

Korona, T ;

Moszynski, R ;

Wormer, PES ;

vanderAvoird, A .

JOURNAL OF CHEMICAL PHYSICS, 1997, 107 (03) :902-913

[9] Total differential cross sections and differential energy loss spectra for He-C2H2 from an ab initio potential [J].

Heijman, TGA ;

Moszynski, R ;

Wormer, PES ;

vanderAvoird, A ;

Buck, U ;

Ettischer, I ;

Krohne, R .

JOURNAL OF CHEMICAL PHYSICS, 1997, 107 (18) :7260-7265

[10] COMPARISON OF CLOSE COUPLING AND COUPLED STATES FOR LOW-ENERGY SPHERICAL TOP-ATOM COLLISIONS - AR-CH4 [J].

HEIL, TG ;

SECREST, D .

JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (01) :219-230