ACCURATE ABINITIO TREATMENT OF LOW-ENERGY ELECTRON COLLISIONS WITH ETHYLENE

被引:38
作者
SCHNEIDER, BI
RESCIGNO, TN
LENGSFIELD, BH
MCCURDY, CW
机构
[1] UNIV CALIF LAWRENCE LIVERMORE NATL LAB,LIVERMORE,CA 94550
[2] OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
关键词
D O I
10.1103/PhysRevLett.66.2728
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We report the results of a complex Kohn variational calculation of the low-energy electron scattering from ethylene, C2H4. Our calculations are the first to confirm the existence of the Ramsauer-Townsend effect in a molecule which possesses a permanent quadrupole moment and suggest that such minima may be found in electron-scattering cross sections for many nonpolar molecules. The calculations also reveal a low-energy shape resonance in 2B2g symmetry at 1.83 eV, in excellent agreement with both beam and swarm measurements.
引用
收藏
页码:2728 / 2730
页数:3
相关论文
共 18 条
  • [1] Virtual negative ion spectra of hydrocarbons
    Boness, M. J. W.
    Larkin, I. W.
    Hasted, J. B.
    Moore, L.
    [J]. CHEMICAL PHYSICS LETTERS, 1967, 1 (07) : 292 - 294
  • [2] ELECTRON AFFINITIES OF ETHYLENE AND 1,3-BUTADIENE
    BURROW, PD
    JORDAN, KD
    [J]. CHEMICAL PHYSICS LETTERS, 1975, 36 (05) : 594 - 598
  • [3] ABINITIO CALCULATION OF THE DIPOLE POLARIZABILITIES OF UNSATURATED-HYDROCARBONS
    CHABLO, A
    HINCHLIFFE, A
    [J]. CHEMICAL PHYSICS LETTERS, 1980, 72 (01) : 149 - 151
  • [4] COMPTON RN, COMMUNICATION
  • [5] HAYASHI M, 1990, NONEQUILIBRIUM PROCE, P333
  • [6] POLARIZATION AND EXCHANGE EFFECTS IN LOW-ENERGY ELECTRON-H2 SCATTERING
    HENRY, RJW
    LANE, NF
    [J]. PHYSICAL REVIEW, 1969, 183 (01): : 221 - &
  • [7] RAMAN-SPECTRA OF ASYMMETRIC TOP MOLECULES .1. PURE ROTATIONAL SPECTRUM OF ETHYLENE
    HILLS, GW
    JONES, WJ
    [J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1975, 71 : 812 - &
  • [8] MOLECULAR-ORBITAL CALCULATION OF SHAPE RESONANCE IN N-/2
    KRAUSS, M
    MIES, FH
    [J]. PHYSICAL REVIEW A, 1970, 1 (06): : 1592 - &
  • [9] LENGSFIELD BH, IN PRESS
  • [10] COLLISIONS OF ELECTRONS WITH POLYATOMIC-MOLECULES - ELECTRON-METHANE SCATTERING BY THE COMPLEX KOHN VARIATIONAL METHOD
    MCCURDY, CW
    RESCIGNO, TN
    [J]. PHYSICAL REVIEW A, 1989, 39 (09): : 4487 - 4493