The results of second order polarization propagator calculations of the valence excitation energies and oscillator strengths of Si2C and Si3 are reported and compared to the previously published spectrum of SiC2. The character and properties of the excitations are explored and suggestions are made as to excitations which may be amendable to experimental study. A previously observed optical transition in Si clusters is assigned to an intense line in the Si3 spectrum at about 46 000 cm−1.
REFERENCES
1.
G. H. F.
Diercksen
, N. E.
Grüner
, J.
Oddershede
, and J. R.
Sabin
, Chem. Phys. Lett.
117
, 29
(1985
).2.
J.
Oddershede
, J. R.
Sabin
, G. H. F.
Diercksen
, and N. E.
Grüner
, J. Chem. Phys.
83
, 1702
(1985
).3.
C. D.
Shane
, Lick Obs. Bull.
13
, 123
(1928
);A.
McKellar
, J. R. Astron. Soc. Can.
41
, 147
(1977
);4.
5.
6.
7.
D. L.
Michalopoulos
, M. E.
Geusic
, P. R. R.
Langridge‐Smith
, and R. E.
Smalley
, J. Chem. Phys.
80
, 3556
(1984
).8.
9.
10.
Z. H.
Kafafi
, R. H.
Hauge
, L.
Fredin
, and J. L.
Margrave
, J. Phys. Chem.
87
, 797
(1983
).11.
12.
13.
14.
G. H. F. Diercksen and W. P. Kraemer, MUNICH Manual, Special Technical Report, Max‐Planck‐Institut für Physik und Astrophysik, Munich.
15.
for methodological details see
G.
Noga
, Comput. Phys. Commun.
29
, 117
(1983
), and references therein.16.
17.
18.
Computational details of the determination of the ground state geometry are given in Ref. 1 and and Ref. 2
19.
20.
21.
G. H. F.
Diercksen
, N. E.
Grüner
, and J.
Oddershede
, Comput. Phys. Commun.
30
, 349
(1983
).22.
23.
24.
25.
Interatomic Distances, edited by L. E. Sutton, Supplement, Specialist Periodical Report No. 18 (Chemical Society, London, 1965).
26.
This content is only available via PDF.
© 1986 American Institute of Physics.
1986
American Institute of Physics
You do not currently have access to this content.