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Two-dimensional fully numerical solutions of molecular Dirac equations. One-electron molecules

✍ Scribed by Leif Laaksonen; Ian P. Grant

Publisher: Elsevier Science
Year: 1984
Tongue: English
Weight: 214 KB
Volume: 109
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(84)80348-6

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✦ Synopsis

A fully numerical twodimensional approach is presented for lhc electronic Dirac equation of linear molcculcs. The method is tested on the lolvcst S112 state of I1 and u112 states of 11; and ilcH2+.

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