-
1
-
-
0037603251
-
-
Y. Shen and J. J. BelBruno, J. Chem. Phys. 118, 9241 (2003), and references therein.
-
Y. Shen and J. J. BelBruno, J. Chem. Phys. 118, 9241 (2003), and references therein.
-
-
-
-
2
-
-
0033700798
-
-
J. Yoon, K. S. Kim, and K. K. Baeck, J. Chem. Phys. 112, 9335 (2000), and references therein.
-
J. Yoon, K. S. Kim, and K. K. Baeck, J. Chem. Phys. 112, 9335 (2000), and references therein.
-
-
-
-
3
-
-
0028424037
-
-
E. E. Wedum E. R. Grant, P. Y. Cheng, K. F. Willey, and M. A. Duncan, J. Chem. Phys. 100, 6312 (1994), and references therein.
-
E. E. Wedum E. R. Grant, P. Y. Cheng, K. F. Willey, and M. A. Duncan, J. Chem. Phys. 100, 6312 (1994), and references therein.
-
-
-
-
4
-
-
0000736155
-
-
F. Wallimann, H.-M. Frey, S. Leutwyler, and M. Riley, Z. Phys. D: At., Mol. Clusters 40, 30 (1997).
-
(1997)
Z. Phys. D: At., Mol. Clusters
, vol.40
, pp. 30
-
-
Wallimann, F.1
Frey, H.-M.2
Leutwyler, S.3
Riley, M.4
-
5
-
-
0001469501
-
-
T. L. Haslett, K. A. Bosnick, S. Fedrigo, and M. Moskovits, J. Chem. Phys. 111, 6456 (1999).
-
(1999)
J. Chem. Phys
, vol.111
, pp. 6456
-
-
Haslett, T.L.1
Bosnick, K.A.2
Fedrigo, S.3
Moskovits, M.4
-
9
-
-
34047137968
-
-
I. Sioutis, V. L. Stakhursky, R. M. Pitzer, and T. A. Miller, J. Chem. Phys. 126, 124309 (2007), following paper.
-
I. Sioutis, V. L. Stakhursky, R. M. Pitzer, and T. A. Miller, J. Chem. Phys. 126, 124309 (2007), following paper.
-
-
-
-
12
-
-
33644642187
-
-
P. García-Fernández I. B. Bersuker, J. A. Aramburu, M. T. Barriuso, and M. Moreno, Phys. Rev. B 71, 184117 (2005).
-
(2005)
Phys. Rev. B
, vol.71
, pp. 184117
-
-
García-Fernández, P.1
Bersuker, I.B.2
Aramburu, J.A.3
Barriuso, M.T.4
Moreno, M.5
-
18
-
-
84931507903
-
-
P. Pulay, Mol. Phys. 17, 197 (1969).
-
(1969)
Mol. Phys
, vol.17
, pp. 197
-
-
Pulay, P.1
-
19
-
-
11944256577
-
-
M. C. Payne M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopulos, Rev. Mod. Phys. 64, 1045 (1992).
-
(1992)
Rev. Mod. Phys
, vol.64
, pp. 1045
-
-
Payne, M.C.1
Teter, M.P.2
Allan, D.C.3
Arias, T.A.4
Joannopulos, J.D.5
-
20
-
-
34047111304
-
-
COLUMBUS programs, Release 6.0 beta 4, 2006, described at
-
COLUMBUS programs, Release 6.0 beta 4, 2006, described at http://www.itc.univie.ac.at/~hans/Columbus/Columbus.html
-
-
-
-
21
-
-
34047165912
-
-
See www.clarkson.edu/~pac/reps.html for complete references and a library of potentials.
-
See www.clarkson.edu/~pac/reps.html for complete references and a library of potentials.
-
-
-
-
29
-
-
0000896038
-
-
P. G. Burton, R. J. Buenker, P. J. Bruna, and S. D. Peyerimhoff, Chem. Phys. Lett. 95, 379 (1983).
-
(1983)
Chem. Phys. Lett
, vol.95
, pp. 379
-
-
Burton, P.G.1
Buenker, R.J.2
Bruna, P.J.3
Peyerimhoff, S.D.4
-
33
-
-
34047148405
-
-
ATMSCF program, original version, C. C. J. Roothaan and P. S. Bagus, Methods Comput. Phys. 2, 47 (1963);
-
ATMSCF program, original version, C. C. J. Roothaan and P. S. Bagus, Methods Comput. Phys. 2, 47 (1963);
-
-
-
-
34
-
-
34047160512
-
-
ATMSCF, present version, R. M. Pitzer, QCPE 10, 587 (1990).
-
ATMSCF, present version, R. M. Pitzer, QCPE 10, 587 (1990).
-
-
-
-
37
-
-
34047133829
-
-
J. E. Sansoetti, W. C. Martin, and S. L. Young, Handbook of Basic Atomic Spectroscopic Data Version 1.1.2, National Institute of Standards and Technology, Gaithersburg, MD, 2006, available at
-
J. E. Sansoetti, W. C. Martin, and S. L. Young, Handbook of Basic Atomic Spectroscopic Data (Version 1.1.2) (National Institute of Standards and Technology, Gaithersburg, MD, 2006), available at http://physics.nist.gov/ PhysRefData/Handbook/Tables/silveitable5.htm
-
-
-
-
43
-
-
0036625290
-
-
J. R. Lombardi and B. Davis, Chem. Rev. (Washington, D.C.) 102, 2431 (2002), and references therein.
-
J. R. Lombardi and B. Davis, Chem. Rev. (Washington, D.C.) 102, 2431 (2002), and references therein.
-
-
-
-
48
-
-
0001758551
-
-
V. Bonačić-Koutecký, L. Češpiva, P. Fantucci, and J. Koutecký, J. Chem. Phys. 98, 7981 (1993).
-
(1993)
J. Chem. Phys
, vol.98
, pp. 7981
-
-
Bonačić-Koutecký, V.1
Češpiva, L.2
Fantucci, P.3
Koutecký, J.4
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