ELECTRON-MOLECULE SCATTERING AT INTERMEDIATE ENERGY - CENTRIFUGAL-DOMINANT CHANNEL DECOUPLING AND THE INDOX POLARIZED SCF MODEL APPLIED TO N2 AT 50 EV

被引：16

作者：

ONDA, K

TRUHLAR, DG

机构：

[1] Department of Chemistry, University of Minnesota, Minneapolis

来源：

JOURNAL OF CHEMICAL PHYSICS | 1979年 / 71卷 / 12期

关键词：

D O I：

10.1063/1.438283

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：

We have calculated cross sections for vibrationally-electronically elastic electron-N2 scattering at 50 eV impact energy. The model interaction potential includes static, exchange, and polarization interactions calculated by the INDOX/1s method and the semiclassical exchange approximation with adiabatic polarization at large electron-molecule distances. The scattering is treated by converged rotational close coupling using a new channel decoupling scheme. © 1979 American Institute of Physics.

引用

页码：5097 / 5106

页数：10

共 45 条

[1] Allison A. C., 1970, Journal of Computational Physics, V6, P378, DOI 10.1016/0021-9991(70)90037-9
[2] THE THEORY OF SCATTERING BY A RIGID ROTATOR
ARTHURS, AM
DALGARNO, A
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1960, 256 (1287): : 540 - 551
[3] PROGRAM FOR CALCULATING DIFFERENTIAL AND INTEGRAL CROSS-SECTIONS FOR QUANTUM MECHANICAL SCATTERING PROBLEMS FROM REACTANCE OR TRANSITION MATRICES
BRANDT, MA
TRUHLAR, DG
SMITH, RL
[J]. COMPUTER PHYSICS COMMUNICATIONS, 1973, 5 (06) : 456 - 477
[4] ELECTRON-SCATTERING BY NITROGEN MOLECULES - THEORY AND APPLICATION TO ELASTIC-SCATTERING AND ROTATIONAL EXCITATION AT 30-75 EV
BRANDT, MA
TRUHLAR, DG
VANCATLEDGE, FA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (12) : 4957 - 4967
[5] BRANDT MA, 1974, COMPUT PHYS COMMUN, V7, P177
[6] PROGRAM ACRL TO CALCULATE DIFFERENTIAL AND INTEGRAL CROSS-SECTIONS ADAPTED TO RUN ON IBM COMPUTERS
BRANDT, MA
TRUHLAR, DG
SMITH, RL
[J]. COMPUTER PHYSICS COMMUNICATIONS, 1974, 7 (03) : 172 - 173
[7] SCATTERING OF LOW-ENERGY ELECTRONS BY DIATOMIC-MOLECULES
BUCKLEY, BD
BURKE, PG
[J]. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1977, 10 (04) : 725 - 739
[8] EXCITATION OF HE+ BY ELECTRONS
BURKE, PG
MCVICAR, DD
SMITH, K
[J]. PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1964, 83 (5333): : 397 - &
[9] ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS
CADE, PE
SALES, KD
WAHL, AC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) : 1973 - &
[10] LOW-ENERGY ELECTRON-SCATTERING BY H-2 AND N2 - ITERATIVE STATIC-EXCHANGE CALCULATION
COLLINS, LA
ROBB, WD
MORRISON, MA
[J]. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1978, 11 (24) : L777 - L781

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