✦ LIBER ✦

Modification of dipole-length and dipole-velocity matrix elements: Application to 1sσg-2pσu transitions of H2+

✍ Scribed by C. Laughlin

Publisher: Elsevier Science
Year: 1984
Tongue: English
Weight: 327 KB
Volume: 106
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(84)80220-1

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✦ Synopsis

A procedure, based on approximate variational improvement of the wavefunctions. is developed for modifying electric dipole matrix elements calculated in the length and velocity forms. Its relationship to Ihe recently proposed method of Roginsky el al. is investigated and test calculations are carried out for lsog-2p0, transitions in H;. The results indicate that it may be an effective procedure in molecular calculations. ') Exact energies from refs. ]9.10]. b, 1.1(-Z) = 1.1 X 10w2.