ON THE SCATTERING OF LOW-ENERGY ELECTRONS BY SULFUR-HEXAFLUORIDE

被引:57
作者
GIANTURCO, FA
LUCCHESE, RR
SANNA, N
机构
[1] TEXAS A&M UNIV, DEPT CHEM, COLLEGE STATION, TX 77843 USA
[2] CASPUR, CTR RES APPLICAT SUPERCOMP, I-00185 ROME, ITALY
关键词
D O I
10.1063/1.469305
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 collision between a beam of electrons and gaseous molecules of sulphur hexafluoride (SF6) are studied from a theoretical and computational point of view, by solving the multichannel scattering problem within the close-coupling (CC) approach that uses a symmetry-adapted, single-center- expanded (SCE) description of the continuum functions. The static and exchange interactions are treated exactly within the basis set expansion and correlation forces are introduced in local form using a density functional model (FEG) without empirical parameters. Elastic observables (rotationally summed) are obtained over a broad range of energies, both for the integral and differential cross sections, and compared with the existing experiments. The symmetry and nature of the observed resonances are analyzed and discussed. One finds, in general, very satisfactory accord between the present calculations and the measured cross sections. © 1995 American Institute of Physics.
引用
收藏
页码:5743 / 5751
页数:9
相关论文
共 42 条
[3]   TOTAL CROSS-SECTION OF SF6 MOLECULE FOR ELASTIC ELECTRON-SCATTERING [J].
BENEDICT, MG ;
GYEMANT, I .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 13 (05) :597-603
[4]  
BROESTEN L, 1990, J PHYS B ATOM MOL PH, V23, P1905
[5]  
DABABNEH MS, PHYS REV B, V38, P1207
[6]   SHAPE RESONANCES IN E-SF6 SCATTERING [J].
DEHMER, JL ;
SIEGEL, J ;
DILL, D .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (11) :5205-5206
[8]   ELECTRON ATTACHMENT TO SF6 [J].
FEHSENFE.FC .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (05) :2000-&
[9]   ASSOCIATIVE AND DISSOCIATIVE ELECTRON-ATTACHMENT BY SF6 AND SF5CL [J].
FENZLAFF, M ;
GERHARD, R ;
ILLENBERGER, E .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (01) :149-155
[10]   THE ATTACHMENT OF VERY SLOW-ELECTRONS TO POLYATOMIC-MOLECULES [J].
GAUYACQ, JP ;
HERZENBERG, A .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1984, 17 (06) :1155-1171