EXCITATION OF THE FINE-STRUCTURE TRANSITIONS OF O(3PJ) IN COLLISIONS WITH ORTHO-H2 AND PARA-H2

被引:83
|
作者
JAQUET, R
STAEMMLER, V
SMITH, MD
FLOWER, DR
机构
[1] RUHR UNIV BOCHUM,LEHRSTUHL THEORET CHEM,W-4300 BOCHUM,GERMANY
[2] UNIV DURHAM,DEPT PHYS,DURHAM DH1 3LE,ENGLAND
关键词
D O I
10.1088/0953-4075/25/1/030
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Ab initio calculations at the SCF and CEPA levels have been performed for the interaction potential between O(3P) and H-2(X 1-SIGMA(g)+) at separations in the van der Waals region. Potential curves for 3-SIGMA-, 3-PI (collinear approach), 3A2, 3B1, 3B2 (orthogonal approach) and 3A' (45-degrees approach) are presented and used in quantum mechanical close coupling calculations of the cross sections for the de-excitation of fine structure transitions in O(3P(J)) by ortho- and para-H-2. The rate coefficients for these and the reverse transitions are evaluated for a wide range of temperatures.
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页码:285 / 297
页数:13
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