USE OF CORRECTED CENTRIFUGAL SUDDEN APPROXIMATIONS FOR THE CALCULATION OF EFFECTIVE CROSS-SECTIONS .2. THE N2-HE SYSTEM

被引:7
作者
THACHUK, M [1 ]
MCCOURT, FRW [1 ]
机构
[1] UNIV WATERLOO,DEPT CHEM,WATERLOO N2L 3G1,ONTARIO,CANADA
关键词
D O I
10.1063/1.460767
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
A series of centrifugal sudden (CS) and infinite-order sudden (IOS) approximations together with their corrected versions, respectively, the corrected centrifugal sudden (CCS) and corrected infinite-order sudden (CIOS) approximations, originally introduced by McLenithan and Secrest [J. Chem. Phys. 80, 2480 (1987)], have been compared with the close-coupled (CC) method for the N2-He interaction. This extends previous work using the H2-He system [J. Chem. Phys. 93, 3931 (1990)] to an interaction which is more anisotropic and more classical in nature. A set of eleven energy dependent cross sections, including both relaxation and production types, has been calculated using the LF- and LA-labeling schemes for the CS approximation, as well as the KI-, KF-, KA-, and KM-labeling schemes for the IOS approximation. The latter scheme is defined as KM = K = max (k(j),k(jI)). Further, a number of temperature dependent cross sections formed from thermal averages of the above set have also been compared at 100 and 200 K. These comparisons have shown that the CS approximation produced accurate results for relaxation type cross sections regardless of the L-labeling scheme chosen, but inaccurate results for production type cross sections. Further, except for one particular cross section, the CCS approximation did not generally improve the accuracy of the CS results using either the LF- or LA-labeling schemes. The accuracy of the IOS results vary greatly between the cross sections with the most accurate values given by the KM-labeling scheme. The CIOS approximation generally increases the accuracy of the corresponding IOS results but does not completely eliminate the errors associated with them. For some cross sections, the CIOS results are more accurate than the corresponding CS or CCS results.
引用
收藏
页码:4112 / 4129
页数:18
相关论文
共 44 条
[21]   CORRECTIONS TO THE INFINITE-ORDER SUDDEN APPROXIMATION - DISTORTED-WAVE TREATMENT OF CENTRIFUGAL SUDDEN CORRECTIONS [J].
KHARE, V ;
KOURI, DJ .
JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (09) :1563-1572
[22]   LIPPMANN-SCHWINGER EQUATION FOR ATOM-DIATOM COLLISIONS - ROTATING FRAME TREATMENT [J].
KOURI, DJ ;
HEIL, TG ;
SHIMONI, Y .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (01) :226-235
[23]   SUFFICIENCY CONDITIONS FOR VALIDITY OF JZ-CONSERVING COUPLED STATES APPROXIMATION [J].
KOURI, DJ ;
HEIL, TG ;
SHIMONI, Y .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (04) :1462-1473
[24]   PRODUCTION AND RELAXATION CROSS-SECTIONS FOR THE SHEAR VISCOSITY SBE .2. IOSA RESULTS FOR THE N2-HE SYSTEM [J].
LIU, WK ;
MCCOURT, FR ;
FITZ, DE ;
KOURI, DJ .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (03) :1496-1508
[25]   PRODUCTION AND RELAXATION CROSS-SECTIONS FOR THE SHEAR VISCOSITY SENFTLEBEN-BEENAKKER EFFECT .1. FORMAL EXPRESSIONS AND THEIR COUPLED-STATES AND INFINITE-ORDER-SUDDEN APPROXIMATIONS FOR ATOM-DIATOM SYSTEMS [J].
LIU, WK ;
MCCOURT, FR ;
FITZ, DE ;
KOURI, DJ .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (01) :415-425
[26]   CLOSE-COUPLED AND COUPLED-STATES CALCULATION OF SHEAR VISCOSITY SBE CROSS-SECTIONS FOR THE H2-HE SYSTEM [J].
LIU, WK ;
MCCOURT, FR ;
FITZ, DE ;
KOURI, DJ .
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (10) :5112-5127
[27]   ABSOLUTE TOTAL ELASTIC CROSS-SECTIONS FOR O2-RARE GASES SCATTERING [J].
LUZZATTI, E ;
PIRANI, F ;
VECCHIOCATTIVI, F .
MOLECULAR PHYSICS, 1977, 34 (05) :1279-1286
[28]   AN ESSENTIALLY EXACT EVALUATION OF TRANSPORT CROSS-SECTIONS FOR A MODEL OF THE HELIUM NITROGEN INTERACTION [J].
MAITLAND, GC ;
MUSTAFA, M ;
WAKEHAM, WA ;
MCCOURT, FRW .
MOLECULAR PHYSICS, 1987, 61 (02) :359-387
[29]   AN IMPROVED LOG DERIVATIVE METHOD FOR INELASTIC-SCATTERING [J].
MANOLOPOULOS, DE .
JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (11) :6425-6429
[30]   A COMPARISON OF THE PREDICTIONS OF VARIOUS MODEL N2-HE POTENTIAL-ENERGY SURFACES WITH EXPERIMENT [J].
MCCOURT, FR ;
FUCHS, RR ;
THAKKAR, AJ .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (11) :5561-5567