The electronic states of Ga3

作者: K. Balasubramanian , P.Y. Feng

DOI: 10.1016/0009-2614(88)85066-8

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摘要: Abstract Complete active space MC SCF (CAS SCF) followed by configuration interaction calculations which employ relativistic effective potentials are carried out on seven low-lying electronic states of Ga 3 and two + . The 2 A 1 state is the ground with a near-equilateral triangular geometry. Two degenerate excited ( 4 B ) found for isosceles closed shell linear

参考文章(20)
R.C. Baetzold, J.F. Hamilton, Properties of small metal particles Progress in Solid State Chemistry. ,vol. 15, pp. 1- 53 ,(1983) , 10.1016/0079-6786(83)90003-1
K. Balasubramanian, Relativistic calculations of electronic states and potential energy surfaces of Sn3 Journal of Chemical Physics. ,vol. 85, pp. 3401- 3406 ,(1986) , 10.1063/1.451815
M. D. Morse, G. P. Hansen, P. R. R. Langridge‐Smith, Lan‐Sun Zheng, M. E. Geusic, D. L. Michalopoulos, R. E. Smalley, Spectroscopic studies of the jet‐cooled nickel dimer Journal of Chemical Physics. ,vol. 80, pp. 5400- 5405 ,(1984) , 10.1063/1.446646
J. A. Howard, R. Sutcliffe, J. S. Tse, H. Dahmane, B. Mile, Electron spin resonance spectra of the aluminium trimer in hydrocarbon matrices: a quartet 4A2 state The Journal of Physical Chemistry. ,vol. 89, pp. 3595- 3598 ,(1985) , 10.1021/J100263A004
Harold Basch, The electronic states of Al3 Chemical Physics Letters. ,vol. 136, pp. 289- 293 ,(1987) , 10.1016/0009-2614(87)80253-1
M. E. Geusic, M. D. Morse, R. E. Smalley, Hydrogen chemisorption on transition metal clusters Journal of Chemical Physics. ,vol. 82, pp. 590- 591 ,(1985) , 10.1063/1.448732
K. Balasubramanian, Electronic structure of GaAs2 Journal of Chemical Physics. ,vol. 87, pp. 3518- 3521 ,(1987) , 10.1063/1.452996
K. Balasubramanian, CAS SCF/CI calculations of low-lying states and potential energy surfaces of Si3 Chemical Physics Letters. ,vol. 125, pp. 400- 406 ,(1986) , 10.1016/0009-2614(86)85180-6
K. Balasubramanian, Electronic states of dimeric gallium (Ga2) The Journal of Physical Chemistry. ,vol. 90, pp. 6786- 6790 ,(1986) , 10.1021/J100284A014
K. Balasubramanian, CASSCF/CI calculations of electronic states and potential energy surfaces of PtH2 Journal of Chemical Physics. ,vol. 87, pp. 2800- 2805 ,(1987) , 10.1063/1.453068