-
1
-
-
0042946634
-
-
JCPSA6 0021-9606 10.1063/1.478114
-
Q. Wang and J. K. Johnson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478114 110, 577 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 577
-
-
Wang, Q.1
Johnson, J.K.2
-
2
-
-
0037105059
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.66.121401
-
O. Gulseren, T. Yildirim, and S. Ciraci, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.121401 66, 121401 (R) (2002).
-
(2002)
Phys. Rev. B
, vol.66
, pp. 121401
-
-
Gulseren, O.1
Yildirim, T.2
Ciraci, S.3
-
3
-
-
37649022218
-
-
CH-590-31288 (National Renewable Energy Laboratory, Golden, CO
-
A. C. Dillon, T. Gennett, J. L. Alleman, K. M. Jones, P. A. Parilla, and M. J. Heben, Optimization of Single-Wall Nanotube Synthesis for Hydrogen Storage, NREL Report No. CH-590-31288 (National Renewable Energy Laboratory, Golden, CO 2001).
-
(2001)
-
-
Dillon, A.C.1
Gennett, T.2
Alleman, J.L.3
Jones, K.M.4
Parilla, P.A.5
Heben, M.J.6
-
4
-
-
0032622265
-
-
APPLAB 0003-6951 10.1063/1.123833
-
Y. Ye, C. C. Ahn, C. Witham, B. Fultz, J. Liu, A. G. Rinzler, D. Colbert, K. A. Smith, and R. E. Smalley, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.123833 74, 2307 (1999).
-
(1999)
Appl. Phys. Lett.
, vol.74
, pp. 2307
-
-
Ye, Y.1
Ahn, C.C.2
Witham, C.3
Fultz, B.4
Liu, J.5
Rinzler, A.G.6
Colbert, D.7
Smith, K.A.8
Smalley, R.E.9
-
5
-
-
11644302460
-
-
JPCBFK 1089-5647 10.1021/jp980114l
-
A. Chambers, C. Park, R. T. K. Baker, and N. M. Rodriguez, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp980114l 102, 4253 (1998).
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 4253
-
-
Chambers, A.1
Park, C.2
Baker, R.T.K.3
Rodriguez, N.M.4
-
6
-
-
0037029670
-
-
JCOMEL 0953-8984 10.1088/0953-8984/14/17/201
-
G. E. Froudakis, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/17/201 14, R453 (2002).
-
(2002)
J. Phys.: Condens. Matter
, vol.14
, pp. 453
-
-
Froudakis, G.E.1
-
8
-
-
0024930947
-
-
PSSFBP 0079-6816 10.1016/0079-6816(89)90013-0
-
T. Aruga and Y. Murata, Prog. Surf. Sci. PSSFBP 0079-6816 10.1016/0079-6816(89)90013-0 31, 61 (1989).
-
(1989)
Prog. Surf. Sci.
, vol.31
, pp. 61
-
-
Aruga, T.1
Murata, Y.2
-
9
-
-
1642304599
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.69.075414
-
Y. Yagi, T. M. Briere, M. H. F. Sluiter, V. Kumar, A. A. Farajian, and Y. Kawazoe, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.075414 69, 075414 (2004).
-
(2004)
Phys. Rev. B
, vol.69
, pp. 075414
-
-
Yagi, Y.1
Briere, T.M.2
Sluiter, M.H.F.3
Kumar, V.4
Farajian, A.A.5
Kawazoe, Y.6
-
10
-
-
28744434070
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.71.165430
-
M. Pivetta, F. Patthey, I. Barke, H. Hovel, B. Delley, and W.-D. Schneider, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.165430 71, 165430 (2005).
-
(2005)
Phys. Rev. B
, vol.71
, pp. 165430
-
-
Pivetta, M.1
Patthey, F.2
Barke, I.3
Hovel, H.4
Delley, B.5
Schneider, W.-D.6
-
11
-
-
0037080534
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.65.035420
-
C. Jo, C. Kim, and Y. H. Lee, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.035420 65, 035420 (2002).
-
(2002)
Phys. Rev. B
, vol.65
, pp. 035420
-
-
Jo, C.1
Kim, C.2
Lee, Y.H.3
-
12
-
-
0012652124
-
-
JCPSA6 0021-9606 10.1063/1.473177
-
B. Hellsing, D. V. Chakarov, L. Osterlund, V. P. Zhdanov, and B. Kasemo, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.473177 106, 982 (1997).
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 982
-
-
Hellsing, B.1
Chakarov, D.V.2
Osterlund, L.3
Zhdanov, V.P.4
Kasemo, B.5
-
13
-
-
4143093314
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.78.4994
-
A. Sandell, O. Hjortstam, A. Nilsson, P. A. Bruhwiler, O. Eriksson, P. Bennich, P. Rudolf, J. M. Wills, B. Johansson, and N. Martensson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.4994 78, 4994 (1997).
-
(1997)
Phys. Rev. Lett.
, vol.78
, pp. 4994
-
-
Sandell, A.1
Hjortstam, O.2
Nilsson, A.3
Bruhwiler, P.A.4
Eriksson, O.5
Bennich, P.6
Rudolf, P.7
Wills, J.M.8
Johansson, B.9
Martensson, N.10
-
14
-
-
0027887761
-
-
LANGD5 0743-7463 10.1021/la00036a017
-
C. Janiak, R. Hoffman, P. Sjovall, and B. Kasemo, Langmuir LANGD5 0743-7463 10.1021/la00036a017 9, 3427 (1993).
-
(1993)
Langmuir
, vol.9
, pp. 3427
-
-
Janiak, C.1
Hoffman, R.2
Sjovall, P.3
Kasemo, B.4
-
15
-
-
0000561364
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.58.13191
-
O. Hjortstam, J. M. Wills, B. Johansson, and O. Eriksson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.58.13191 58, 13191 (1998).
-
(1998)
Phys. Rev. B
, vol.58
, pp. 13191
-
-
Hjortstam, O.1
Wills, J.M.2
Johansson, B.3
Eriksson, O.4
-
16
-
-
0001286747
-
-
JCPSA6 0021-9606 10.1063/1.475732
-
D. Lamoen and B. N. J. Persson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.475732 108, 3332 (1998).
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 3332
-
-
Lamoen, D.1
Persson, B.N.J.2
-
17
-
-
0001654501
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.47.13713
-
F. Ancilotto and F. Toigo, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.13713 47, 13713 (1993).
-
(1993)
Phys. Rev. B
, vol.47
, pp. 13713
-
-
Ancilotto, F.1
Toigo, F.2
-
18
-
-
0037091436
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.65.165419
-
T. Miyake and S. Saito, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.165419 65, 165419 (2002).
-
(2002)
Phys. Rev. B
, vol.65
, pp. 165419
-
-
Miyake, T.1
Saito, S.2
-
20
-
-
0000770806
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.46.15484
-
H. Ishida and R. E. Palmer, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46.15484 46, 15484 (1992).
-
(1992)
Phys. Rev. B
, vol.46
, pp. 15484
-
-
Ishida, H.1
Palmer, R.E.2
-
21
-
-
2342424576
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.69.125419
-
X. Yang and J. Ni, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69. 125419 69, 125419 (2004).
-
(2004)
Phys. Rev. B
, vol.69
, pp. 125419
-
-
Yang, X.1
Ni, J.2
-
22
-
-
34548694977
-
-
SUSCAS 0039-6028 10.1016/0039-6028(89)90198-2
-
F. Ganz, K. Staller, and J. Clark, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(89)90198-2 219, 33 (1989).
-
(1989)
Surf. Sci.
, vol.219
, pp. 33
-
-
Ganz, F.1
Staller, K.2
Clark, J.3
-
23
-
-
10644250257
-
-
PRVBAK 0096-8269 10.1103/PhysRev.136.B864
-
P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964);
-
(1964)
Phys. Rev.
, vol.136
, pp. 864
-
-
Hohenberg, P.1
Kohn, W.2
-
24
-
-
0042113153
-
-
PRVBAK 0096-8269 10.1103/PhysRev.140.A1133
-
W. Kohn and L. J. Sham, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.140. A1133 140, A1133 (1965).
-
(1965)
Phys. Rev.
, vol.140
, pp. 1133
-
-
Kohn, W.1
Sham, L.J.2
-
25
-
-
33645426115
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.43.1993
-
N. Troullier and J. L. Martins, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.1993 43, 1993 (1991).
-
(1991)
Phys. Rev. B
, vol.43
, pp. 1993
-
-
Troullier, N.1
Martins, J.L.2
-
26
-
-
0001161603
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425
-
L. Kleinman and D. M. Bylander, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425 48, 1425 (1982).
-
(1982)
Phys. Rev. Lett.
, vol.48
, pp. 1425
-
-
Kleinman, L.1
Bylander, D.M.2
-
27
-
-
0000549623
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.26.1738
-
S. G. Louie, S. Froyen, and M. L. Cohen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.26.1738 26, 1738 (1982).
-
(1982)
Phys. Rev. B
, vol.26
, pp. 1738
-
-
Louie, S.G.1
Froyen, S.2
Cohen, M.L.3
-
28
-
-
26144450583
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.23.5048
-
J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
-
(1981)
Phys. Rev. B
, vol.23
, pp. 5048
-
-
Perdew, J.P.1
Zunger, A.2
-
29
-
-
33744691386
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.45.566
-
D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
-
(1980)
Phys. Rev. Lett.
, vol.45
, pp. 566
-
-
Ceperley, D.M.1
Alder, B.J.2
-
31
-
-
0006838610
-
-
IJQCB2 0020-7608 10.1002/(SICI)1097-461X(1997)65:5<453::AID-QUA9>3. 0.CO;2-V
-
D. Sanchez-Portal, P. Ordejon, E. Artacho, and J. M. Soler, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/(SICI)1097-461X(1997)65:5<453::AID- QUA9>3.0.CO;2-V 65, 453 (1997).
-
(1997)
Int. J. Quantum Chem.
, vol.65
, pp. 453
-
-
Sanchez-Portal, D.1
Ordejon, P.2
Artacho, E.3
Soler, J.M.4
-
32
-
-
0037171091
-
-
JCOMEL 0953-8984 10.1088/0953-8984/14/11/302
-
J. M. Soler, E. Artacho, J. Gale, A. Garcia, J. Junquera, P. Ordejon, and D. Sanchez-Portal, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/11/302 14, 2745 (2002).
-
(2002)
J. Phys.: Condens. Matter
, vol.14
, pp. 2745
-
-
Soler, J.M.1
Artacho, E.2
Gale, J.3
Garcia, A.4
Junquera, J.5
Ordejon, P.6
Sanchez-Portal, D.7
-
34
-
-
84890021933
-
-
MOPHAM 0026-8976 10.1080/00268977000101561
-
S. F. Boys and F. Bernardi, Mol. Phys. MOPHAM 0026-8976 10.1080/00268977000101561 19, 553 (1970).
-
(1970)
Mol. Phys.
, vol.19
, pp. 553
-
-
Boys, S.F.1
Bernardi, F.2
-
35
-
-
28644451966
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.71.165421
-
F. Tournus and J. C. Charlier, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.165421 71, 165421 (2005).
-
(2005)
Phys. Rev. B
, vol.71
, pp. 165421
-
-
Tournus, F.1
Charlier, J.C.2
-
37
-
-
0001360121
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.50.11355
-
J. R. Chelikowsky, N. Troullier, K. Wu, and Y. Saad, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.11355 50, 11355 (1994).
-
(1994)
Phys. Rev. B
, vol.50
, pp. 11355
-
-
Chelikowsky, J.R.1
Troullier, N.2
Wu, K.3
Saad, Y.4
-
38
-
-
33646245011
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.73.165420
-
I. Vasiliev and S. A. Curran, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.165420 73, 165420 (2006).
-
(2006)
Phys. Rev. B
, vol.73
, pp. 165420
-
-
Vasiliev, I.1
Curran, S.A.2
-
39
-
-
23244460838
-
-
See, for example, PRBMDO 0163-1829 10.1103/PhysRevB.46.6671
-
See, for example, J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46.6671 46, 6671 (1992);
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
40
-
-
0001622167
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.48.4978.2
-
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.48. 4978.2 48, 4978 (1993);
-
(1993)
Phys. Rev. B
, vol.48
, pp. 4978
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
41
-
-
77956779984
-
-
JCPSA6 0021-9606 10.1063/1.462066
-
A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.462066 96, 2155 (1992);
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 2155
-
-
Becke, A.D.1
-
43
-
-
0004674615
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.74.3487
-
B. Hammer and M. Scheffler, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.74.3487 74, 3487 (1995);
-
(1995)
Phys. Rev. Lett.
, vol.74
, pp. 3487
-
-
Hammer, B.1
Scheffler, M.2
-
44
-
-
0001564460
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.76.660
-
D. R. Hamann, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.76. 660 76, 660 (1996);
-
(1996)
Phys. Rev. Lett.
, vol.76
, pp. 660
-
-
Hamann, D.R.1
-
46
-
-
35949007203
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.48.18304
-
V. Ozolins and M. Körling, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.48.18304 48, 18304 (1993).
-
(1993)
Phys. Rev. B
, vol.48
, pp. 18304
-
-
Ozolins, V.1
Körling, M.2
-
47
-
-
79955981249
-
-
APPLAB 0003-6951 10.1063/1.1478155
-
W. Z. Liang, G. H. Chen, Z. M. Li, and Z. T. Tang, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1478155 80, 3415 (2002).
-
(2002)
Appl. Phys. Lett.
, vol.80
, pp. 3415
-
-
Liang, W.Z.1
Chen, G.H.2
Li, Z.M.3
Tang, Z.T.4
-
48
-
-
9644267243
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.72.1878
-
X. Blase, L. X. Benedict, E. L. Shirley, and S. G. Louie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.72.1878 72, 1878 (1994).
-
(1994)
Phys. Rev. Lett.
, vol.72
, pp. 1878
-
-
Blase, X.1
Benedict, L.X.2
Shirley, E.L.3
Louie, S.G.4
-
49
-
-
0034890885
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.63.165408
-
K. Suenaga, E. Sandre, C. Colliex, C. J. Pickard, H. Kataura, and S. Iijima, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.165408 63, 165408 (2001).
-
(2001)
Phys. Rev. B
, vol.63
, pp. 165408
-
-
Suenaga, K.1
Sandre, E.2
Colliex, C.3
Pickard, C.J.4
Kataura, H.5
Iijima, S.6
-
50
-
-
0003579604
-
-
4th ed. (Addison Wesley, Reading, MA
-
J. R. Reitz, F. J. Milford, and R. W. Christy, Foundations of Electromagnetic Theory, 4th ed. (Addison Wesley, Reading, MA, 1992).
-
(1992)
Foundations of Electromagnetic Theory
-
-
Reitz, J.R.1
Milford, F.J.2
Christy, R.W.3
|