ABINITIO SCF POLARIZABILITIES AND ELECTRON-MOLECULE ADIABATIC POLARIZATION POTENTIALS .1. H-2

被引:39
作者
TRUHLAR, DG
DIXON, DA
EADES, RA
机构
[1] Department of Chemistry, University of Minnesota, Minneapolis
关键词
D O I
10.1088/0022-3700/12/12/011
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Ab initio calculations of the static electric-dipole polarisability and the adiabatic polarisation potential including all multipole terms for electron scattering are reported for H2. The authors particularly examine the dependence of the polarisation potential on distance to the electron, orientation of the molecule, and internuclear distance.
引用
收藏
页码:1913 / 1925
页数:13
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