-
1
-
-
0003752338
-
-
Cambridge University Press, Cambridge, Chap. 15
-
See, for example, A. Zangwill, Physics at Surfaces (Cambridge University Press, Cambridge, 1988), Chap. 15.
-
(1988)
Physics at Surfaces
-
-
Zangwill, A.1
-
2
-
-
0342304284
-
-
G. Pacchioni and N. Rosch, J. Chem. Phys. 104, 7329 (1996); I. Yudanov, G. Pacchioni, K. Neyman, and N. Rosch, J. Phys. Chem. 101, 2786 (1997); N. Lopez, F. Illas, N. Rosch, and G. Pacchioni, J. Chem. Phys. 110, 4873 (1999).
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 7329
-
-
Pacchioni, G.1
Rosch, N.2
-
3
-
-
0001598964
-
-
G. Pacchioni and N. Rosch, J. Chem. Phys. 104, 7329 (1996); I. Yudanov, G. Pacchioni, K. Neyman, and N. Rosch, J. Phys. Chem. 101, 2786 (1997); N. Lopez, F. Illas, N. Rosch, and G. Pacchioni, J. Chem. Phys. 110, 4873 (1999).
-
(1997)
J. Phys. Chem.
, vol.101
, pp. 2786
-
-
Yudanov, I.1
Pacchioni, G.2
Neyman, K.3
Rosch, N.4
-
4
-
-
0000567185
-
-
G. Pacchioni and N. Rosch, J. Chem. Phys. 104, 7329 (1996); I. Yudanov, G. Pacchioni, K. Neyman, and N. Rosch, J. Phys. Chem. 101, 2786 (1997); N. Lopez, F. Illas, N. Rosch, and G. Pacchioni, J. Chem. Phys. 110, 4873 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 4873
-
-
Lopez, N.1
Illas, F.2
Rosch, N.3
Pacchioni, G.4
-
5
-
-
0031998768
-
-
N. Lopez and F. Illas, J. Phys. Chem. B 102, 1430 (1998); V. Musolino, A. Selloni, and R. Car, J. Chem Phys. 108, 5044 (1998); Y. Li, D. C. Langreth, and M. R. Pederson, Phys. Rev. B 52, 6067 (1995).
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 1430
-
-
Lopez, N.1
Illas, F.2
-
6
-
-
0342739342
-
-
N. Lopez and F. Illas, J. Phys. Chem. B 102, 1430 (1998); V. Musolino, A. Selloni, and R. Car, J. Chem Phys. 108, 5044 (1998); Y. Li, D. C. Langreth, and M. R. Pederson, Phys. Rev. B 52, 6067 (1995).
-
(1998)
J. Chem Phys.
, vol.108
, pp. 5044
-
-
Musolino, V.1
Selloni, A.2
Car, R.3
-
7
-
-
4243764925
-
-
N. Lopez and F. Illas, J. Phys. Chem. B 102, 1430 (1998); V. Musolino, A. Selloni, and R. Car, J. Chem Phys. 108, 5044 (1998); Y. Li, D. C. Langreth, and M. R. Pederson, Phys. Rev. B 52, 6067 (1995).
-
(1995)
Phys. Rev. B
, vol.52
, pp. 6067
-
-
Li, Y.1
Langreth, D.C.2
Pederson, M.R.3
-
8
-
-
0001028421
-
-
J. R. Smith, T. Hong, and D. J. Srolovitz, Phys. Rev. Lett. 72, 4021 (1994); J. Goniakowski, Phys. Rev. B 58, 1189 (1998).
-
(1994)
Phys. Rev. Lett.
, vol.72
, pp. 4021
-
-
Smith, J.R.1
Hong, T.2
Srolovitz, D.J.3
-
9
-
-
0001456476
-
-
J. R. Smith, T. Hong, and D. J. Srolovitz, Phys. Rev. Lett. 72, 4021 (1994); J. Goniakowski, Phys. Rev. B 58, 1189 (1998).
-
(1998)
Phys. Rev. B
, vol.58
, pp. 1189
-
-
Goniakowski, J.1
-
11
-
-
0001236272
-
-
J. E. Jaffe and A. C. Hess, J. Chem. Phys. 105, 10 983 (1996); Z. Lin, J. E. Jaffe, and A. C. Hess, J. Phys. Chem. 103, 2117 (1999); M. Gutowski, J. A. Nichols, and A. C. Hess, in preparation; D. E. Bernholdt et al., Int. J. Quantum Chem., Symp. 29, 475 (1995); J. Anchell et al., "NWChem, A computational chemistry package for parallel computers, Version 3.2.1," Pacific Northwest National Laboratory, Richland, Washington 99352-0999, 1998.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 10983
-
-
Jaffe, J.E.1
Hess, A.C.2
-
12
-
-
0001376106
-
-
J. E. Jaffe and A. C. Hess, J. Chem. Phys. 105, 10 983 (1996); Z. Lin, J. E. Jaffe, and A. C. Hess, J. Phys. Chem. 103, 2117 (1999); M. Gutowski, J. A. Nichols, and A. C. Hess, in preparation; D. E. Bernholdt et al., Int. J. Quantum Chem., Symp. 29, 475 (1995); J. Anchell et al., "NWChem, A computational chemistry package for parallel computers, Version 3.2.1," Pacific Northwest National Laboratory, Richland, Washington 99352-0999, 1998.
-
(1999)
J. Phys. Chem.
, vol.103
, pp. 2117
-
-
Lin, Z.1
Jaffe, J.E.2
Hess, A.C.3
-
13
-
-
0041652864
-
-
in preparation
-
J. E. Jaffe and A. C. Hess, J. Chem. Phys. 105, 10 983 (1996); Z. Lin, J. E. Jaffe, and A. C. Hess, J. Phys. Chem. 103, 2117 (1999); M. Gutowski, J. A. Nichols, and A. C. Hess, in preparation; D. E. Bernholdt et al., Int. J. Quantum Chem., Symp. 29, 475 (1995); J. Anchell et al., "NWChem, A computational chemistry package for parallel computers, Version 3.2.1," Pacific Northwest National Laboratory, Richland, Washington 99352-0999, 1998.
-
-
-
Gutowski, M.1
Nichols, J.A.2
Hess, A.C.3
-
14
-
-
84981648542
-
-
J. E. Jaffe and A. C. Hess, J. Chem. Phys. 105, 10 983 (1996); Z. Lin, J. E. Jaffe, and A. C. Hess, J. Phys. Chem. 103, 2117 (1999); M. Gutowski, J. A. Nichols, and A. C. Hess, in preparation; D. E. Bernholdt et al., Int. J. Quantum Chem., Symp. 29, 475 (1995); J. Anchell et al., "NWChem, A computational chemistry package for parallel computers, Version 3.2.1," Pacific Northwest National Laboratory, Richland, Washington 99352-0999, 1998.
-
(1995)
Int. J. Quantum Chem., Symp.
, vol.29
, pp. 475
-
-
Bernholdt, D.E.1
-
15
-
-
0004341271
-
-
Pacific Northwest National Laboratory, Richland, Washington 99352-0999
-
J. E. Jaffe and A. C. Hess, J. Chem. Phys. 105, 10 983 (1996); Z. Lin, J. E. Jaffe, and A. C. Hess, J. Phys. Chem. 103, 2117 (1999); M. Gutowski, J. A. Nichols, and A. C. Hess, in preparation; D. E. Bernholdt et al., Int. J. Quantum Chem., Symp. 29, 475 (1995); J. Anchell et al., "NWChem, A computational chemistry package for parallel computers, Version 3.2.1," Pacific Northwest National Laboratory, Richland, Washington 99352-0999, 1998.
-
(1998)
NWChem, a Computational Chemistry Package for Parallel Computers, Version 3.2.1
-
-
Anchell, J.1
-
19
-
-
77956779984
-
-
J. Chem. Phys. 96, 2155 (1992);
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 2155
-
-
-
21
-
-
0001470765
-
-
unpublished; detailed information on the basis sets used in the present calculation will be furnished on request
-
N. Godbout, D. R. Salahub, J. Andzelm, and E. Wimmer, Can. J. Chem. 70, 560 (1992), and unpublished; detailed information on the basis sets used in the present calculation will be furnished on request.
-
(1992)
Can. J. Chem.
, vol.70
, pp. 560
-
-
Godbout, N.1
Salahub, D.R.2
Andzelm, J.3
Wimmer, E.4
-
22
-
-
0002874835
-
-
K. H. Rieder, Surf. Sci. 118, 57 (1982); P. Cantini and E. Cevasco, ibid. 148, 37 (1984).
-
(1982)
Surf. Sci.
, vol.118
, pp. 57
-
-
Rieder, K.H.1
-
27
-
-
0001526041
-
-
A. Banerjea and J. R. Smith, Phys. Rev. B 37, 6632 (1988); P. Vinet, J. H. Rose, J. Ferrante, and J. R. Smith, J. Phys. (France) 1, 1941 (1989); W. Matthew, C. Foulkes, and R. Haydock, Phys. Rev. B 39, 12520 (1989).
-
(1988)
Phys. Rev. B
, vol.37
, pp. 6632
-
-
Banerjea, A.1
Smith, J.R.2
-
28
-
-
36149034873
-
-
France
-
A. Banerjea and J. R. Smith, Phys. Rev. B 37, 6632 (1988); P. Vinet, J. H. Rose, J. Ferrante, and J. R. Smith, J. Phys. (France) 1, 1941 (1989); W. Matthew, C. Foulkes, and R. Haydock, Phys. Rev. B 39, 12520 (1989).
-
(1989)
J. Phys.
, vol.1
, pp. 1941
-
-
Vinet, P.1
Rose, J.H.2
Ferrante, J.3
Smith, J.R.4
-
29
-
-
24444442070
-
-
A. Banerjea and J. R. Smith, Phys. Rev. B 37, 6632 (1988); P. Vinet, J. H. Rose, J. Ferrante, and J. R. Smith, J. Phys. (France) 1, 1941 (1989); W. Matthew, C. Foulkes, and R. Haydock, Phys. Rev. B 39, 12520 (1989).
-
(1989)
Phys. Rev. B
, vol.39
, pp. 12520
-
-
Matthew, W.1
Foulkes, C.2
Haydock, R.3
-
30
-
-
0042654787
-
-
note
-
1 is largest in magnitude for K and smallest for Li (Fig. 4) as one would expect from the larger radius and polarizability of the K atom.
-
-
-
-
35
-
-
0031101933
-
-
E. A. McMullough, Jr., E. Aprà, and J. Nichols, J. Phys. Chem. A 101, 2502 (1997).
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 2502
-
-
McMullough E.A., Jr.1
Aprà, E.2
Nichols, J.3
-
39
-
-
0041652859
-
-
Ref. 6, op. cit
-
Z. Lin et al., Ref. 6, op. cit.
-
-
-
Lin, Z.1
-
40
-
-
0030148570
-
-
T. Kendelewicz, P. Liu, G. E. Brown, Jr., E. J. Nelson, and P. Pianetta, Surf. Sci. 352-354, 451 (1996).
-
(1996)
Surf. Sci.
, vol.352-354
, pp. 451
-
-
Kendelewicz, T.1
Liu, P.2
Brown G.E., Jr.3
Nelson, E.J.4
Pianetta, P.5
-
42
-
-
0000963740
-
-
D. Murphy and E. Giamello, J. Phys. Chem. 98, 7929 (1994); 99, 15 172 (1995).
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 15172
-
-
-
43
-
-
0001515593
-
-
H. Onishi, C. Egawa, T. Aruga, and Y. Iwasawa, Surf. Sci. 191, 479 (1987).
-
(1987)
Surf. Sci.
, vol.191
, pp. 479
-
-
Onishi, H.1
Egawa, C.2
Aruga, T.3
Iwasawa, Y.4
|