The photoabsorption spectra of a continuous series of Nan clusters (n14, n=20, n=40) have been calculated using a time-dependent density-functional scheme. Accordingly, we present these spectra and show that they are in very good agreement with other theoretically and experimentally obtained photoabsorption spectra. Furthermore, we discuss the influence of the cluster structure on the photoabsorption spectrum for some selected clusters and present for several cluster sizes photoabsorption spectra of different geometrical isomers. The spectra of clusters with five or more atoms are dominated by a few large peaks which can be interpreted as collective plasmon excitations.

1.
A.
Henglein
,
Top. Curr. Chem.
143
,
113
(
1988
).
3.
M.
Nirmal
,
D. J.
Norris
,
M.
Kuno
,
M. G.
Bawendi
,
A. L.
Efros
, and
M.
Rosen
,
Phys. Rev. Lett.
75
,
3728
(
1995
).
4.
A. P.
Alivisatos
,
J. Phys. Chem.
100
,
13226
(
1996
).
5.
S.
Gorer
and
G.
Hodes
, in
Semiconductor Nanoclusters (Studies in Surface Science and Catalysis)
, edited by
P. V.
Kamat
and
D.
Meisel
(
Elsevier
,
Amsterdam
,
1996
), Vol.
103
, pp.
297
320
.
6.
W. D.
Knight
,
K.
Clemenger
,
W. A.
de Heer
,
W. A.
Saunders
,
M. Y.
Chou
, and
M. L.
Cohen
,
Phys. Rev. Lett.
52
,
2141
(
1984
).
7.
W. D.
Knight
,
K.
Clemenger
,
W. A.
de Heer
,
W. A.
Saunders
,
M. Y.
Chou
, and
M. L.
Cohen
,
Phys. Rev. Lett.
53
,
510
(
1984
).
8.
W. D.
Knight
,
K.
Clemenger
,
W. A.
de Heer
, and
W. A.
Saunders
,
Phys. Rev. B
31
,
2539
(
1985
).
9.
W. A.
de Heer
,
K.
Selby
,
V.
Kresin
,
J.
Masui
,
M.
Vollmer
,
A.
Châtelain
, and
W. D.
Knight
,
Phys. Rev. Lett.
59
,
1805
(
1987
).
10.
K.
Selby
,
M.
Vollmer
,
J.
Masui
,
V.
Kresin
,
W. A.
de Heer
, and
W. D.
Knight
,
Z. Phys. D: At., Mol. Clusters
12
,
477
(
1989
).
11.
K.
Selby
,
M.
Vollmer
,
J.
Masui
,
V.
Kresin
,
W. A.
de Heer
, and
W. D.
Knight
,
Phys. Rev. B
40
,
5417
(
1989
).
12.
C. R. C.
Wang
,
S.
Pollack
,
D.
Cameron
, and
M. M.
Kappes
,
J. Chem. Phys.
93
,
3787
(
1990
).
13.
C. R. C.
Wang
,
S.
Pollack
,
T. A.
Dahlseid
,
G. M.
Koretsky
, and
M. M.
Kappes
,
J. Chem. Phys.
96
,
7931
(
1992
).
14.
M.
Koskinen
,
P. O.
Lipas
,
M.
Manninen
,
J.
Toivanen
, and
M. J.
Puska
,
Z. Phys. D: At., Mol. Clusters
26
,
261
(
1993
).
15.
V.
Bonačić-Koutecký
,
P.
Fantucci
, and
J.
Koutecký
,
Phys. Rev. B
37
,
4369
(
1988
).
16.
V.
Bonačić-Koutecký
,
P.
Fantucci
, and
J.
Koutecký
,
J. Chem. Phys.
93
,
3802
(
1990
).
17.
V.
Bonačić-Koutecký
,
J.
Pittner
,
C.
Scheuch
,
M. F.
Guest
, and
J.
Koutecký
,
J. Chem. Phys.
96
,
7938
(
1992
).
18.
V.
Bonačić-Koutecký
,
J.
Pittner
,
C.
Fuchs
,
P.
Fantucci
,
M. F.
Guest
, and
J.
Koutecký
,
J. Chem. Phys.
104
,
1427
(
1996
).
19.
I.
Vasiliev
,
S.
Öğüt
, and
J. R.
Chelikowsky
,
Phys. Rev. Lett.
82
,
1919
(
1999
).
20.
G.
Onida
,
L.
Reining
,
R. W.
Godby
,
R.
Del Sole
, and
W.
Andreoni
,
Phys. Rev. Lett.
75
,
818
(
1995
).
21.
M. A. L.
Marques
,
A.
Castro
, and
A.
Rubio
,
J. Chem. Phys.
115
,
3006
(
2001
).
22.
M. A. L.
Marques
,
A.
Castro
,
G. F.
Bertsch
, and
A.
Rubio
,
Comput. Phys. Commun.
151
,
60
(
2003
).
23.
C.
Gatti
,
S.
Polezzo
, and
P.
Fantucci
,
Chem. Phys. Lett.
175
,
645
(
1990
).
24.
I. A.
Solov’yov
,
A. V.
Solov’yov
, and
W.
Greiner
,
Phys. Rev. A
65
,
053203
(
2002
).
25.
I. A.
Solov’yov
,
A. V.
Solov’yov
, and
W.
Greiner
,
J. Phys. B
37
,
L137
(
2004
).
26.
M.
Moseler
,
H.
Häkkinen
, and
U.
Landman
,
Phys. Rev. Lett.
87
,
053401
(
2001
).
27.
K.
Rytkönen
,
J.
Akola
, and
M.
Manninen
,
Phys. Rev. B
69
,
205404
(
2004
).
28.
R.
van Leeuwen
,
Int. J. Mod. Phys. B
15
,
1969
(
2001
).
29.
M. A. L.
Marques
and
E. K. U.
Gross
,
Annu. Rev. Phys. Chem.
55
,
427
(
2004
).
30.
K.
Yabana
and
G. F.
Bertsch
,
Phys. Rev. B
54
,
4484
(
1996
).
31.
K.
Yabana
and
G. F.
Bertsch
,
Int. J. Quantum Chem.
75
,
55
(
1999
).
32.
K.
Yabana
and
G. F.
Bertsch
,
Phys. Rev. A
60
,
1271
(
1999
).
33.
M. E.
Casida
, in
Recent Advances in Density Functional Methods
, edited by
D. P.
Chong
(
World Scientific
,
Singapore
,
1995
), Part 1, p.
155
.
34.
M. E.
Casida
, in
Theoretical and Computational Chemistry
, edited by
J. M.
Seminario
(
Elsevier Science
,
Amsterdam
,
1996
), Vol.
4
, p.
391
.
35.
J.-O.
Joswig
,
M.
Springborg
, and
G.
Seifert
,
Phys. Chem. Chem. Phys.
3
,
5130
(
2001
).
36.
J.-O.
Joswig
and
M.
Springborg
,
Phys. Rev. B
68
,
085408
(
2003
).
37.
Y.
Li
,
E.
Blaisten-Barojas
, and
D. A.
Papaconstantopoulos
,
Phys. Rev. B
57
,
15519
(
1998
).
38.
J. M.
Soler
,
E.
Artacho
,
J. D.
Gale
,
A.
García
,
J.
Junquera
,
P.
Ordejón
, and
D.
Sánchez-Portal
,
J. Phys.: Condens. Matter
14
,
2745
(
2002
).
39.
P.
Hohenberg
and
W.
Kohn
,
Phys. Rev.
136
,
B864
(
1964
).
40.
W.
Kohn
and
L. J.
Sham
,
Phys. Rev.
140
,
A1133
(
1965
).
41.
L.
Kleinman
and
D. M.
Bylander
,
Phys. Rev. Lett.
48
,
1425
(
1982
).
42.
N.
Troullier
and
J. L.
Martins
,
Phys. Rev. B
43
,
1993
(
1991
).
43.
W. C.
Martin
and
R.
Zalubas
,
J. Phys. Chem. Ref. Data
10
,
153
(
1981
).
44.
W. R.
Fredrickson
and
W. W.
Watson
,
Phys. Rev.
30
,
429
(
1927
).
45.
S. P.
Sinha
,
Proc. Phys. Soc. London
59
,
610
(
1947
).
46.
S. P.
Sinha
,
Proc. Phys. Soc., London, Sect. A
62
,
124
(
1949
).
47.
L.
Kronik
,
I.
Vasiliev
, and
J. R.
Chelikowsky
,
Phys. Rev. B
62
,
9992
(
2000
).
48.
L.
Kronik
,
I.
Vasiliev
,
M.
Jain
, and
J. R.
Chelikowsky
,
J. Chem. Phys.
115
,
4322
(
2001
).
49.
L.
Kronik
,
I.
Vasiliev
,
M.
Jain
, and
J. R.
Chelikowsky
,
J. Chem. Phys.
115
,
8714
(
2001
).
50.
I.
Vasiliev I
,
S.
Öğüt
, and
J. R.
Chelikowsky
,
Phys. Rev. B
65
,
115416
(
2002
).
51.
S.
Pollack
,
C. R. C.
Wang
, and
M. M.
Kappes
,
J. Chem. Phys.
94
,
2496
(
1991
).
52.
K.
Selby
,
V.
Kresin
,
J.
Masui
,
M.
Vollmer
,
W. A.
de Heer
,
A.
Scheidemann
, and
W. D.
Knight
,
Phys. Rev. B
43
,
4565
(
1991
).
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