Electron collisions with the CF2 radical using the R-matrix method

被引:43
作者
Rozum, I [1 ]
Mason, NJ [1 ]
Tennyson, J [1 ]
机构
[1] UCL, Dept Phys & Astron, London WC1E 6BT, England
关键词
D O I
10.1088/0953-4075/35/6/311
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
The R-matrix method is used to treat electron collisions with the molecular radical CF2. These calculations concentrate on obtaining low-energy (less than 10 eV) elastic and excitation cross sections of the six lowest-lying electronically excited-states of the CF2 molecule. These states have symmetry 3131, 1131, (3)A(2), (1)A(2), B-3(2) and B-1(2) and vertical excitation energies in the range 2.44-10 eV. Two shape resonances of (2)A(1) and B-2(1) symmetries are found at 5.61 and 0.95 eV respectively. Calculations which stretch one C-F bond show that the 2131 resonance becomes bound at a bond length beyond 3.2 a(0). No other bound CF2- states are found.
引用
收藏
页码:1583 / 1591
页数:9
相关论文
共 29 条
[1]   Electron collisions with ClO using the R-matrix method [J].
Baluja, KL ;
Mason, NJ ;
Morgan, LA ;
Tennyson, J .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2000, 33 (20) :L677-L684
[2]   Electron collisions with OClO using the R-matrix method [J].
Baluja, KL ;
Mason, NJ ;
Morgan, LA ;
Tennyson, J .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2001, 34 (20) :4041-4052
[3]   Electron collisions with Cl2O using the R-matrix method [J].
Baluja, KL ;
Mason, NJ ;
Morgan, LA ;
Tennyson, J .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2001, 34 (14) :2807-2821
[4]  
BURKE PG, 1993, ATOMIC MOL PROCESSES
[5]   AB-INITIO STUDY OF SEVERAL ELECTRONIC STATES OF THE CF2 RADICAL [J].
CAI, ZL .
JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (32) :8399-8402
[6]   CORRELATION-CONSISTENT SINGLET TRIPLET GAPS IN SUBSTITUTED CARBENES [J].
CARTER, EA ;
GODDARD, WA .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (03) :1752-1763
[7]   THE MILLIMETER AND SUBMILLIMETER SPECTRUM OF CF2 AND ITS PRODUCTION IN A DC GLOW-DISCHARGE [J].
CHARO, A ;
DELUCIA, FC .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1982, 94 (02) :363-368
[8]   ROTATIONAL EXCITATION OF CH+ BY ELECTRON-IMPACT [J].
CHU, SI ;
DALGARNO, A .
PHYSICAL REVIEW A, 1974, 10 (03) :788-792
[9]   GTOBAS: fitting continuum functions with Gaussian-type orbitals [J].
Faure, A ;
Gorfinkiel, JD ;
Morgan, LA ;
Tennyson, J .
COMPUTER PHYSICS COMMUNICATIONS, 2002, 144 (02) :224-241
[10]   Electron scattering in chlorine dioxide [J].
Field, D ;
Jones, NC ;
Gingell, JM ;
Mason, NJ ;
Lunt, SL ;
Ziesel, JP .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2000, 33 (05) :1039-1046