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Ab Initio Calculation of the Electronic Transition Moments for Excited States of the H2 Molecule

✍ Scribed by Ikhlas Drira

Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
142 KB
Volume
198
Category
Article
ISSN
0022-2852

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✦ Synopsis

Ab initio MRCI electronic dipole transition moments were calculated for the singlet and triplet molecular states contributing to free-free and free-bound absorption in the far wings of the Lyman ␣ and Lyman ␀ lines of hydrogen atom perturbed by another hydrogen atom in its ground state. Results are presented for internuclear distances ranging from 1.0a 0 to 50a 0 and for transitions between the X 1 ⌺ g ϩ ground state to all 1 ⌸ u and 1 ⌺ u ϩ states and between the b 3 ⌺ u ϩ state to all 3 ⌸ g and 3 ⌺ g ϩ states that dissociate at large internuclear distances into H (n ϭ 2, 3) ϩ H (n ϭ 1). These results compare well with the previous theoretical calculations available for a few transitions.

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