Multiple scattering approach to elastic low-energy electron collisions with the water dimer

被引:19
作者
Bouchiha, D. [1 ]
Caron, L. G. [2 ]
Gorfinkiel, J. D. [3 ]
Sanche, L. [1 ]
机构
[1] Univ Sherbrooke, Fac Med, Dept Med Nucl & Radiobiol, Grp Sci Radiat, Sherbrooke, PQ J1H 5N4, Canada
[2] Univ Sherbrooke, Dept Phys & Regroupement Quebecois Mat Pointe, Sherbrooke, PQ J1K 2R1, Canada
[3] Open Univ, Dept Phys & Astron, Milton Keynes MK7 6AA, Bucks, England
基金
英国工程与自然科学研究理事会;
关键词
GAUSSIAN-BASIS FUNCTIONS; ATOMIC BASIS-SETS; CROSS-SECTIONS; DISSOCIATIVE EXCITATION; MOLECULAR CALCULATIONS; CLUSTER ANIONS; NEGATIVE-IONS; ATTACHMENT; CONTRACTION; DYNAMICS;
D O I
10.1088/0953-4075/41/4/045204
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Multiple scattering theory is applied to low-energy electron collisions with a complex target formed of two molecular scatterers. The total T-matrix is expressed in terms of the T-matrix for each isolated molecule. We apply the approach to elastic electron -(H2O)(2) collisions. Following the method developed in our previous work on crystalline ice (Caron et al 2007 Phys. Rev. A 76 032716), we impose a cut-off on the dipole outside the R-matrix sphere and an energy-dependent cut-off on the angular momentum components of the monomer T-matrix. An R-matrix calculation of electron - dimer collisions is performed in order to evaluate the accuracy of the multiple scattering approach. The agreement between the two calculations is very good.
引用
收藏
页数:8
相关论文
共 42 条
[1]   R-MATRIX PROPAGATION PROGRAM FOR SOLVING COUPLED SECOND-ORDER DIFFERENTIAL-EQUATIONS [J].
BALUJA, KL ;
BURKE, PG ;
MORGAN, LA .
COMPUTER PHYSICS COMMUNICATIONS, 1982, 27 (03) :299-307
[2]   DYNAMICS OF EXCESS ELECTRON MIGRATION, SOLVATION, AND SPECTRA IN POLAR MOLECULAR CLUSTERS [J].
BARNETT, RN ;
LANDMAN, U ;
NITZAN, A .
JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (09) :5567-5580
[3]  
Becker D., 1997, Radiat. Res, V148, P481
[4]   ENERGY AND ANGULAR-DEPENDENCE OF H-(D-) IONS PRODUCED BY DISSOCIATIVE ELECTRON-ATTACHMENT TO H2O(D2O) [J].
BELIC, DS ;
LANDAU, M ;
HALL, RI .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1981, 14 (01) :175-190
[5]  
BURKE PG, 1993, ATOMIC MOL PROCESSES
[6]   Diffraction in resonant electron scattering from helical macromolecules: Effects of the DNA backbone [J].
Caron, L ;
Sanche, L .
PHYSICAL REVIEW A, 2005, 72 (03)
[7]   Diffraction in resonant electron scattering from helical macromolecules:: A- and B-type DNA -: art. no. 032719 [J].
Caron, L ;
Sanche, L .
PHYSICAL REVIEW A, 2004, 70 (03) :032719-1
[8]   Adapting gas-phase electron scattering R-matrix calculations to a condensed-matter environment [J].
Caron, Laurent ;
Bouchiha, D. ;
Gorfinkiel, J. D. ;
Sanche, L. .
PHYSICAL REVIEW A, 2007, 76 (03)
[9]   Low-energy electron diffraction and resonances in DNA and other helical macromolecules [J].
Caron, LG ;
Sanche, L .
PHYSICAL REVIEW LETTERS, 2003, 91 (11) :113201-113201
[10]   ROTATIONAL EXCITATION OF CH+ BY ELECTRON-IMPACT [J].
CHU, SI ;
DALGARNO, A .
PHYSICAL REVIEW A, 1974, 10 (03) :788-792