-
1
-
-
22744432119
-
-
J.H. Warner, A. Hoshino, K. Yamamoto, R.D. Tilley, Angew. Chem. Int. Ed. 44, 4550 (2005)
-
(2005)
Angew. Chem. Int. Ed
, vol.44
, pp. 4550
-
-
Warner, J.H.1
Hoshino, A.2
Yamamoto, K.3
Tilley, R.D.4
-
4
-
-
59349084784
-
-
R.D. Tilley, J.H. Warner, K. Yamamoto, I. Matsui, H. Fujimori, Chem. Commun. 1833 (2005)
-
(2005)
Chem. Commun. 1833
-
-
Tilley, R.D.1
Warner, J.H.2
Yamamoto, K.3
Matsui, I.4
Fujimori, H.5
-
19
-
-
33846851363
-
-
S
-
F. Bechstedt, H.C. Weissker, L.E. Ramos, J. Furthmüller, Phys. Stat. Sol. (c) 1, S163 (2004)
-
(2004)
Phys. Stat. Sol. (c)
, vol.1
, pp. 163
-
-
Bechstedt, F.1
Weissker, H.C.2
Ramos, L.E.3
Furthmüller, J.4
-
25
-
-
29144523200
-
-
L.E. Ramos, H.C. Weissker, J. Furthmüller, F. Bechstedt, Phys. Stat. Sol. (b) 242, 3053 (2005)
-
(2005)
Phys. Stat. Sol. (b)
, vol.242
, pp. 3053
-
-
Ramos, L.E.1
Weissker, H.C.2
Furthmüller, J.3
Bechstedt, F.4
-
27
-
-
44649152284
-
-
E.L. de Oliveira, E.L. Albuquerque, J. de Sousa, G.A. Farias, J. Appl. Phys. 102, 103716 (2008)
-
(2008)
J. Appl. Phys
, vol.102
, pp. 103716
-
-
de Oliveira, E.L.1
Albuquerque, E.L.2
de Sousa, J.3
Farias, G.A.4
-
30
-
-
59349111263
-
-
M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias, J.D. Joannopoulos, Rev. Mod. Phys. 1045 (1992)
-
(1992)
Rev. Mod. Phys
, vol.1045
-
-
Payne, M.C.1
Teter, M.P.2
Allan, D.C.3
Arias, T.A.4
Joannopoulos, J.D.5
-
35
-
-
33645089207
-
-
B. Walker, A.M. Saitta, R. Gebauer, S. Baroni, Phys. Rev. Lett. 96, 113001 (2006)
-
(2006)
Phys. Rev. Lett
, vol.96
, pp. 113001
-
-
Walker, B.1
Saitta, A.M.2
Gebauer, R.3
Baroni, S.4
-
39
-
-
0000287603
-
-
M.E. Casida, C. Jamorski, K.C. Casida, D.R. Salahub, J. Chem. Phys. 108, 4439 (1998)
-
(1998)
J. Chem. Phys
, vol.108
, pp. 4439
-
-
Casida, M.E.1
Jamorski, C.2
Casida, K.C.3
Salahub, D.R.4
-
42
-
-
0037351976
-
-
M.A. L.Marques, A. Castro, G.F. Bertsch, A. Rubio, Comput. Phys. Commun. 151, 60 (2003)
-
(2003)
Comput. Phys. Commun
, vol.151
, pp. 60
-
-
Marques, M.A.L.1
Castro, A.2
Bertsch, G.F.3
Rubio, A.4
-
44
-
-
0000709260
-
-
A. Rubio, J.A. Alonso, X. Blase, L.C.B. ad S. G. Louie, Phys. Rev. Lett. 77, 247 (1996)
-
A. Rubio, J.A. Alonso, X. Blase, L.C.B. ad S. G. Louie, Phys. Rev. Lett. 77, 247 (1996)
-
-
-
-
46
-
-
42449114107
-
-
D. Rocca, R. Gebauer, Y. Saad, S. Baroni, J. Chem. Phys. 128, 154105 (2008)
-
(2008)
J. Chem. Phys
, vol.128
, pp. 154105
-
-
Rocca, D.1
Gebauer, R.2
Saad, Y.3
Baroni, S.4
-
48
-
-
84864158336
-
-
Ph.D. thesis, Institut für Theoretische Physik, Freie Universität Berlin, Germany
-
H. Appel, Ph.D. thesis, Institut für Theoretische Physik, Freie Universität Berlin, Germany, 2007
-
(2007)
-
-
Appel, H.1
-
54
-
-
59349093092
-
-
S. Baroni, A. Dal Corso, S. de Gironcoli, P. Giannozzi, C. Cavazzoni, G. Ballabio, S. Scandolo, G. Chiarotti, P. Focher, A. Pasquarello, K. Laasonen, A. Trave, R. Car, N. Marzari, A. Kokalj, http://www.pwscf.org/
-
S. Baroni, A. Dal Corso, S. de Gironcoli, P. Giannozzi, C. Cavazzoni, G. Ballabio, S. Scandolo, G. Chiarotti, P. Focher, A. Pasquarello, K. Laasonen, A. Trave, R. Car, N. Marzari, A. Kokalj, http://www.pwscf.org/
-
-
-
-
57
-
-
59349104927
-
-
Files Si.pw91-n-van.UPF and H.pw91-van ak.UPF containing pseudopotentials for Si and H respectively from the PWscf pseudopotential library (available online at http://www.pwscf.org/pseudo.html) are used
-
Files "Si.pw91-n-van.UPF" and "H.pw91-van ak.UPF" containing pseudopotentials for Si and H respectively from the PWscf pseudopotential library (available online at http://www.pwscf.org/pseudo.html) are used
-
-
-
-
60
-
-
59349119475
-
-
During the construction and manipulation of our nanoparticle models, we have made use of the xyz-tools perl scripts written by S. Botti, M.A.L. Marques and available online at http://www.tddft.org
-
During the construction and manipulation of our nanoparticle models, we have made use of the "xyz-tools" perl scripts written by S. Botti, M.A.L. Marques and available online at http://www.tddft.org
-
-
-
-
63
-
-
84864156865
-
-
We perform DFT calculations of bulk diamond structure Si using the PWscf code with the same pseudopotentials and plane wave cutoff energies as in the quantum dot simulations, and a 5 × 5 × 5 Monkhorst-Pack sampling of the Brillouin zone. This calculation gives us a value of 5.47 Å (10.33 Bohr, for the lattice constant, with the corresponding Si-Si bond length being 2.37 Å 4.47 Bohr
-
We perform DFT calculations of bulk diamond structure Si using the PWscf code with the same pseudopotentials and plane wave cutoff energies as in the quantum dot simulations, and a 5 × 5 × 5 Monkhorst-Pack sampling of the Brillouin zone. This calculation gives us a value of 5.47 Å (10.33 Bohr ) for the lattice constant, with the corresponding Si-Si bond length being 2.37 Å (4.47 Bohr)
-
-
-
|