ELECTRON-MOLECULE CLOSE COUPLING WITH CORRELATED TARGET WAVE-FUNCTIONS - APPLICATION TO IMPACT DISSOCIATION OF F2

被引:37
作者
LENGSFIELD, BH
RESCIGNO, TN
机构
[1] Lawrence Livermore National Laboratory, Livermore, CA 94550
来源
PHYSICAL REVIEW A | 1991年 / 44卷 / 05期
关键词
D O I
10.1103/PhysRevA.44.2913
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
An analysis of the close-coupling method as it is traditionally formulated for electron-scattering problems shows that it can give rise to spurious resonances at intermediate energies when multiconfiguration target states are used. These resonances are associated with excited states of the target that are not explicitly included in the close-coupling expansion. We develop a modification of the close-coupling technique that allows one to isolate and systematically eliminate terms from the total wave function which are responsiblefor the spurious behavior. We have applied this technique to the study of electron-impact dissociation of F2 through its two lowest excited states. The complex Kohn variational calculations we have performed on this system incorporate accurate, multiconfiguration descriptions of the target wave functions.
引用
收藏
页码:2913 / 2920
页数:8
相关论文
共 23 条
[1]   RESONANCES IN THE ELECTRONIC EXCITATION OF MOLECULAR-HYDROGEN [J].
BRANCHETT, SE ;
TENNYSON, J .
PHYSICAL REVIEW LETTERS, 1990, 64 (24) :2889-2891
[2]   ELECTRON-ATOM SCATTERING AT INTERMEDIATE ENERGIES [J].
BURKE, PG ;
BERRINGTON, KA ;
SUKUMAR, CV .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1981, 14 (02) :289-305
[3]   R-MATRIX THEORY OF ELECTRON-SCATTERING AT INTERMEDIATE ENERGIES [J].
BURKE, PG ;
NOBLE, CJ ;
SCOTT, P .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1987, 410 (1839) :289-310
[4]   R-MATRIX METHOD IN ATOMIC PHYSICS [J].
BURKE, PG .
COMPUTER PHYSICS COMMUNICATIONS, 1973, 6 (06) :288-302
[5]   THEORETICAL STUDIES OF THE VALENCE ELECTRONIC STATES AND THE 1PIU]-X1SIGMA+G ABSORPTION-SPECTRUM OF THE F2 MOLECULE [J].
CARTWRIGHT, DC ;
HAY, PJ .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (07) :3191-3203
[6]   APPLICATION OF CLOSE-COUPLING METHOD TO EXCITATION OF ELECTRONIC STATES AND DISSOCIATION OF H-2 BY ELECTRON-IMPACT [J].
CHUNG, S ;
LIN, CC .
PHYSICAL REVIEW A, 1978, 17 (06) :1874-1891
[7]  
COLLINS LA, 1987, PHYSICS ELECTRONIC A
[8]   COMPUTER PROGRAMS FOR CALCULATION OF ELECTRON-ATOM COLLISION CROSS-SECTIONS .1. GENERAL FORMULATION [J].
EISSNER, W ;
SEATON, MJ .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1972, 5 (12) :2187-2198
[9]   A UNIFIED THEORY OF NUCLEAR REACTIONS .2. [J].
FESHBACH, H .
ANNALS OF PHYSICS, 1962, 19 (02) :287-313
[10]   UNIFIED THEORY OF NUCLEAR REACTIONS [J].
FESHBACH, H .
ANNALS OF PHYSICS, 1958, 5 (04) :357-390