✦ LIBER ✦

The electronic states of Ga3

✍ Scribed by K. Balasubramanian; P.Y. Feng

Publisher: Elsevier Science
Year: 1988
Tongue: English
Weight: 598 KB
Volume: 146
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(88)85066-8

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✦ Synopsis

Complete active space MC SCF (CAS SW) followed by configuration interaction calculations which employ relativistic effective potentials are carried out on seven low-lying electronic states of Gas and two electronic states of Ga:. The *A, state is the ground state with a near-equilateral triangular geometry. Two degenerate excited electronic states ( 4A2 and %%I ) are found for Ga, with isosceles triangular geometry. The ground state of Ga: is a 'A, closed shell state with a linear geometry.

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