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Eight electronic states and potential energy surfaces of Ge3

✍ Scribed by Dingguo Dai; K. Sumathi; K. Balasubramanian

Publisher: Elsevier Science
Year: 1992
Tongue: English
Weight: 569 KB
Volume: 193
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(92)85663-u

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✦ Synopsis

Complete active space multiconfiguration self-consistent field followed by multireference singles+doubles configuration interaction calculations are made on eight electronic states of GeJ. We compute the entire bending potential energy surfaces of these states. We find two nearly degenerate states ('A,, 3B2) as candidates for the ground state of Ge,. Six excited electronic states within z I eV of the ground state are also found.

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