-
1
-
-
0002895818
-
-
P. Nikolaev, M.J. Bronikowski, R.K. Bradley, F. Rohmund, D.T. Colbert, K.A. Smith, R.E. Smalley, Chem. Phys. Lett. 313 (1999) 91.
-
(1999)
Chem. Phys. Lett.
, vol.313
, pp. 91
-
-
Nikolaev, P.1
Bronikowski, M.J.2
Bradley, R.K.3
Rohmund, F.4
Colbert, D.T.5
Smith, K.A.6
Smalley, R.E.7
-
2
-
-
0033451118
-
-
F. Huisken, B. Kohn, R. Alexandrescu, I. Morjan, Eur. Phys. J. D 9 (1999) 141.
-
(1999)
Eur. Phys. J. D
, vol.9
, pp. 141
-
-
Huisken, F.1
Kohn, B.2
Alexandrescu, R.3
Morjan, I.4
-
3
-
-
0036572528
-
-
L. Delzeit, I. McAninch, B.A. Cruden, D. Hash, B. Chen, J. Han, M. Meyyappan, J. Appl. Phys. 91 (2002) 6027.
-
(2002)
J. Appl. Phys.
, vol.91
, pp. 6027
-
-
Delzeit, L.1
McAninch, I.2
Cruden, B.A.3
Hash, D.4
Chen, B.5
Han, J.6
Meyyappan, M.7
-
4
-
-
0037028479
-
-
E. Plönjes, P. Palm, G.B. Viswanathan, V.V. Subramaniam, I.V. Adamovich, W.R. Lempert, H.L. Fraser, J.W. Rich, Chem. Phys. Lett. 352 (2002) 342.
-
(2002)
Chem. Phys. Lett.
, vol.352
, pp. 342
-
-
Plönjes, E.1
Palm, P.2
Viswanathan, G.B.3
Subramaniam, V.V.4
Adamovich, I.V.5
Lempert, W.R.6
Fraser, H.L.7
Rich, J.W.8
-
5
-
-
0001606178
-
-
E.A. Rohlfing, D.M. Cox, A. Kaldor, K.H. Johnson, J. Chem. Phys. 81 (1984) 3846.
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3846
-
-
Rohlfing, E.A.1
Cox, D.M.2
Kaldor, A.3
Johnson, K.H.4
-
12
-
-
33744624756
-
-
A. Hirt, D. Gerion, I.M.L. Billas, A. Châtelain, W.A. de Heer, Z. Phys. D 40 (1997) 160.
-
(1997)
Z. Phys. D
, vol.40
, pp. 160
-
-
Hirt, A.1
Gerion, D.2
Billas, I.M.L.3
Châtelain, A.4
De Heer, W.A.5
-
14
-
-
2842558370
-
-
D.M. Cox, D.J. Trevor, R.L. Whetten, E.A. Rohlfing, A. Kaldor, Phys. Rev. B 32 (1985) 7290.
-
(1985)
Phys. Rev. B
, vol.32
, pp. 7290
-
-
Cox, D.M.1
Trevor, D.J.2
Whetten, R.L.3
Rohlfing, E.A.4
Kaldor, A.5
-
16
-
-
0001075346
-
-
H. Purdum, P.A. Montano, G.K. Shenoy, T. Morrison, Phys. Rev. B 25 (1982) 4412.
-
(1982)
Phys. Rev. B
, vol.25
, pp. 4412
-
-
Purdum, H.1
Montano, P.A.2
Shenoy, G.K.3
Morrison, T.4
-
19
-
-
0000355076
-
-
E.M. Nour, C. Alfaro-Franco, K.A. Gingerich, J. Laane, J. Chem. Phys. 86 (1987) 4779.
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 4779
-
-
Nour, E.M.1
Alfaro-Franco, C.2
Gingerich, K.A.3
Laane, J.4
-
20
-
-
0038694342
-
-
T.L. Haslett, K.A. Bosnick, S. Fedrigo, M. Moskowits, J. Chem. Phys. 111 (1999) 4917.
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 4917
-
-
Haslett, T.L.1
Bosnick, K.A.2
Fedrigo, S.3
Moskowits, M.4
-
21
-
-
0142057634
-
-
M.D. Morse, Chem. Rev. 86 (1986) 1049; D.R. Salahub, in: K.P. Lawley (Ed.), Ab Initio Methods in Quantum Chemistry - II, Wiley, New York, 1987, p. 447; S. Dhar, N.R. Kestner, Phys. Rev. A 38 (1988) 1111; M. Tomonari, H. Tatewaki, J. Chem. Phys. 88 (1988) 1828; A.C. Pavão, C.A. Taft, B.L. Hammond, W.A. Lester Jr., Phys. Rev. B 40 (1989) 2879; T. Noro, C. Ballard, M.H. Palmer, H. Tatewaki, J. Chem. Phys. 100 (1994) 452; S. Yanasigava, T. Tsuneda, K. Hirao, J. Chem. Phys. 112 (2000) 545; C.J. Barden, J.C. Rienstra-Kiracofe, H.F. Schaefer III, J. Chem. Phys. 113 (2000) 690; O. Hübner, J. Sauer, Chem. Phys. Lett. 358 (2002) 442; C.W. Bauschlicher Jr., A. Ricca, Mol. Phys. 101 (2003) 93.
-
(1986)
Chem. Rev.
, vol.86
, pp. 1049
-
-
Morse, M.D.1
-
22
-
-
0142057634
-
-
K.P. Lawley (Ed.), Wiley, New York
-
M.D. Morse, Chem. Rev. 86 (1986) 1049; D.R. Salahub, in: K.P. Lawley (Ed.), Ab Initio Methods in Quantum Chemistry - II, Wiley, New York, 1987, p. 447; S. Dhar, N.R. Kestner, Phys. Rev. A 38 (1988) 1111; M. Tomonari, H. Tatewaki, J. Chem. Phys. 88 (1988) 1828; A.C. Pavão, C.A. Taft, B.L. Hammond, W.A. Lester Jr., Phys. Rev. B 40 (1989) 2879; T. Noro, C. Ballard, M.H. Palmer, H. Tatewaki, J. Chem. Phys. 100 (1994) 452; S. Yanasigava, T. Tsuneda, K. Hirao, J. Chem. Phys. 112 (2000) 545; C.J. Barden, J.C. Rienstra-Kiracofe, H.F. Schaefer III, J. Chem. Phys. 113 (2000) 690; O. Hübner, J. Sauer, Chem. Phys. Lett. 358 (2002) 442; C.W. Bauschlicher Jr., A. Ricca, Mol. Phys. 101 (2003) 93.
-
(1987)
Ab Initio Methods in Quantum Chemistry - II
, pp. 447
-
-
Salahub, D.R.1
-
23
-
-
0001753840
-
-
M.D. Morse, Chem. Rev. 86 (1986) 1049; D.R. Salahub, in: K.P. Lawley (Ed.), Ab Initio Methods in Quantum Chemistry - II, Wiley, New York, 1987, p. 447; S. Dhar, N.R. Kestner, Phys. Rev. A 38 (1988) 1111; M. Tomonari, H. Tatewaki, J. Chem. Phys. 88 (1988) 1828; A.C. Pavão, C.A. Taft, B.L. Hammond, W.A. Lester Jr., Phys. Rev. B 40 (1989) 2879; T. Noro, C. Ballard, M.H. Palmer, H. Tatewaki, J. Chem. Phys. 100 (1994) 452; S. Yanasigava, T. Tsuneda, K. Hirao, J. Chem. Phys. 112 (2000) 545; C.J. Barden, J.C. Rienstra-Kiracofe, H.F. Schaefer III, J. Chem. Phys. 113 (2000) 690; O. Hübner, J. Sauer, Chem. Phys. Lett. 358 (2002) 442; C.W. Bauschlicher Jr., A. Ricca, Mol. Phys. 101 (2003) 93.
-
(1988)
Phys. Rev. A
, vol.38
, pp. 1111
-
-
Dhar, S.1
Kestner, N.R.2
-
24
-
-
0001585850
-
-
M.D. Morse, Chem. Rev. 86 (1986) 1049; D.R. Salahub, in: K.P. Lawley (Ed.), Ab Initio Methods in Quantum Chemistry - II, Wiley, New York, 1987, p. 447; S. Dhar, N.R. Kestner, Phys. Rev. A 38 (1988) 1111; M. Tomonari, H. Tatewaki, J. Chem. Phys. 88 (1988) 1828; A.C. Pavão, C.A. Taft, B.L. Hammond, W.A. Lester Jr., Phys. Rev. B 40 (1989) 2879; T. Noro, C. Ballard, M.H. Palmer, H. Tatewaki, J. Chem. Phys. 100 (1994) 452; S. Yanasigava, T. Tsuneda, K. Hirao, J. Chem. Phys. 112 (2000) 545; C.J. Barden, J.C. Rienstra-Kiracofe, H.F. Schaefer III, J. Chem. Phys. 113 (2000) 690; O. Hübner, J. Sauer, Chem. Phys. Lett. 358 (2002) 442; C.W. Bauschlicher Jr., A. Ricca, Mol. Phys. 101 (2003) 93.
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 1828
-
-
Tomonari, M.1
Tatewaki, H.2
-
25
-
-
0038694339
-
-
M.D. Morse, Chem. Rev. 86 (1986) 1049; D.R. Salahub, in: K.P. Lawley (Ed.), Ab Initio Methods in Quantum Chemistry - II, Wiley, New York, 1987, p. 447; S. Dhar, N.R. Kestner, Phys. Rev. A 38 (1988) 1111; M. Tomonari, H. Tatewaki, J. Chem. Phys. 88 (1988) 1828; A.C. Pavão, C.A. Taft, B.L. Hammond, W.A. Lester Jr., Phys. Rev. B 40 (1989) 2879; T. Noro, C. Ballard, M.H. Palmer, H. Tatewaki, J. Chem. Phys. 100 (1994) 452; S. Yanasigava, T. Tsuneda, K. Hirao, J. Chem. Phys. 112 (2000) 545; C.J. Barden, J.C. Rienstra-Kiracofe, H.F. Schaefer III, J. Chem. Phys. 113 (2000) 690; O. Hübner, J. Sauer, Chem. Phys. Lett. 358 (2002) 442; C.W. Bauschlicher Jr., A. Ricca, Mol. Phys. 101 (2003) 93.
-
(1989)
Phys. Rev. B
, vol.40
, pp. 2879
-
-
Pavão, A.C.1
Taft, C.A.2
Hammond, B.L.3
Lester W.A., Jr.4
-
26
-
-
0000029258
-
-
M.D. Morse, Chem. Rev. 86 (1986) 1049; D.R. Salahub, in: K.P. Lawley (Ed.), Ab Initio Methods in Quantum Chemistry - II, Wiley, New York, 1987, p. 447; S. Dhar, N.R. Kestner, Phys. Rev. A 38 (1988) 1111; M. Tomonari, H. Tatewaki, J. Chem. Phys. 88 (1988) 1828; A.C. Pavão, C.A. Taft, B.L. Hammond, W.A. Lester Jr., Phys. Rev. B 40 (1989) 2879; T. Noro, C. Ballard, M.H. Palmer, H. Tatewaki, J. Chem. Phys. 100 (1994) 452; S. Yanasigava, T. Tsuneda, K. Hirao, J. Chem. Phys. 112 (2000) 545; C.J. Barden, J.C. Rienstra-Kiracofe, H.F. Schaefer III, J. Chem. Phys. 113 (2000) 690; O. Hübner, J. Sauer, Chem. Phys. Lett. 358 (2002) 442; C.W. Bauschlicher Jr., A. Ricca, Mol. Phys. 101 (2003) 93.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 452
-
-
Noro, T.1
Ballard, C.2
Palmer, M.H.3
Tatewaki, H.4
-
27
-
-
0001533310
-
-
M.D. Morse, Chem. Rev. 86 (1986) 1049; D.R. Salahub, in: K.P. Lawley (Ed.), Ab Initio Methods in Quantum Chemistry - II, Wiley, New York, 1987, p. 447; S. Dhar, N.R. Kestner, Phys. Rev. A 38 (1988) 1111; M. Tomonari, H. Tatewaki, J. Chem. Phys. 88 (1988) 1828; A.C. Pavão, C.A. Taft, B.L. Hammond, W.A. Lester Jr., Phys. Rev. B 40 (1989) 2879; T. Noro, C. Ballard, M.H. Palmer, H. Tatewaki, J. Chem. Phys. 100 (1994) 452; S. Yanasigava, T. Tsuneda, K. Hirao, J. Chem. Phys. 112 (2000) 545; C.J. Barden, J.C. Rienstra-Kiracofe, H.F. Schaefer III, J. Chem. Phys. 113 (2000) 690; O. Hübner, J. Sauer, Chem. Phys. Lett. 358 (2002) 442; C.W. Bauschlicher Jr., A. Ricca, Mol. Phys. 101 (2003) 93.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 545
-
-
Yanasigava, S.1
Tsuneda, T.2
Hirao, K.3
-
28
-
-
0034228773
-
-
M.D. Morse, Chem. Rev. 86 (1986) 1049; D.R. Salahub, in: K.P. Lawley (Ed.), Ab Initio Methods in Quantum Chemistry - II, Wiley, New York, 1987, p. 447; S. Dhar, N.R. Kestner, Phys. Rev. A 38 (1988) 1111; M. Tomonari, H. Tatewaki, J. Chem. Phys. 88 (1988) 1828; A.C. Pavão, C.A. Taft, B.L. Hammond, W.A. Lester Jr., Phys. Rev. B 40 (1989) 2879; T. Noro, C. Ballard, M.H. Palmer, H. Tatewaki, J. Chem. Phys. 100 (1994) 452; S. Yanasigava, T. Tsuneda, K. Hirao, J. Chem. Phys. 112 (2000) 545; C.J. Barden, J.C. Rienstra-Kiracofe, H.F. Schaefer III, J. Chem. Phys. 113 (2000) 690; O. Hübner, J. Sauer, Chem. Phys. Lett. 358 (2002) 442; C.W. Bauschlicher Jr., A. Ricca, Mol. Phys. 101 (2003) 93.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 690
-
-
Barden, C.J.1
Rienstra-Kiracofe, J.C.2
Schaefer H.F. III3
-
29
-
-
0037036006
-
-
M.D. Morse, Chem. Rev. 86 (1986) 1049; D.R. Salahub, in: K.P. Lawley (Ed.), Ab Initio Methods in Quantum Chemistry - II, Wiley, New York, 1987, p. 447; S. Dhar, N.R. Kestner, Phys. Rev. A 38 (1988) 1111; M. Tomonari, H. Tatewaki, J. Chem. Phys. 88 (1988) 1828; A.C. Pavão, C.A. Taft, B.L. Hammond, W.A. Lester Jr., Phys. Rev. B 40 (1989) 2879; T. Noro, C. Ballard, M.H. Palmer, H. Tatewaki, J. Chem. Phys. 100 (1994) 452; S. Yanasigava, T. Tsuneda, K. Hirao, J. Chem. Phys. 112 (2000) 545; C.J. Barden, J.C. Rienstra-Kiracofe, H.F. Schaefer III, J. Chem. Phys. 113 (2000) 690; O. Hübner, J. Sauer, Chem. Phys. Lett. 358 (2002) 442; C.W. Bauschlicher Jr., A. Ricca, Mol. Phys. 101 (2003) 93.
-
(2002)
Chem. Phys. Lett.
, vol.358
, pp. 442
-
-
Hübner, O.1
Sauer, J.2
-
30
-
-
0037679952
-
-
M.D. Morse, Chem. Rev. 86 (1986) 1049; D.R. Salahub, in: K.P. Lawley (Ed.), Ab Initio Methods in Quantum Chemistry - II, Wiley, New York, 1987, p. 447; S. Dhar, N.R. Kestner, Phys. Rev. A 38 (1988) 1111; M. Tomonari, H. Tatewaki, J. Chem. Phys. 88 (1988) 1828; A.C. Pavão, C.A. Taft, B.L. Hammond, W.A. Lester Jr., Phys. Rev. B 40 (1989) 2879; T. Noro, C. Ballard, M.H. Palmer, H. Tatewaki, J. Chem. Phys. 100 (1994) 452; S. Yanasigava, T. Tsuneda, K. Hirao, J. Chem. Phys. 112 (2000) 545; C.J. Barden, J.C. Rienstra-Kiracofe, H.F. Schaefer III, J. Chem. Phys. 113 (2000) 690; O. Hübner, J. Sauer, Chem. Phys. Lett. 358 (2002) 442; C.W. Bauschlicher Jr., A. Ricca, Mol. Phys. 101 (2003) 93.
-
(2003)
Mol. Phys.
, vol.101
, pp. 93
-
-
Bauschlicher C.W., Jr.1
Ricca, A.2
-
31
-
-
0000174780
-
-
B.I. Dunlap, Phys. Rev. A 41 (1990) 5691; J.L. Chen, C.S. Wang, K.A. Jackson, M.R. Pederson, Phys. Rev. B 44 (1991) 6558; H.-P. Cheng, D.E. Ellis, J. Chem. Phys. 94 (1991) 3735; O.B. Christensen, M.L. Cohen, Phys. Rev. B 47 (1993) 13643; M. Castro, D.R. Salahub, Phys. Rev. B 49 (1994) 11842; X.G. Gong, Q.Q. Zheng, J. Phys.: C 7 (1995) 2421; P. Ballone, R.O. Jones, Chem. Phys. Lett. 233 (1995) 632; M. Castro, K. Jamorski, D.R. Salahub, Chem. Phys. Lett. 271 (1997) 133; T. Oda, A. Pasquarello, R. Car, Phys. Rev. Lett. 80 (1998) 3622; A.N. Andriotis, M. Menon, Phys. Rev. B 57 (1998) 10069; O. Diéguez, M.M.G. Alemany, C. Rey, P. Ordejón, L.J. Gallego, Phys. Rev. B 63 (2001) 205407; H.M. Duan, Q.Q. Zheng, Phys. Lett. A 280 (2001) 333; P. Bobadova-Parvanova, K.A. Jackson, S. Srinivas, M. Horoi, C. Köhler, G. Seifert, J. Chem. Phys. 116 (2002) 3576.
-
(1990)
Phys. Rev. A
, vol.41
, pp. 5691
-
-
Dunlap, B.I.1
-
32
-
-
0000276605
-
-
B.I. Dunlap, Phys. Rev. A 41 (1990) 5691; J.L. Chen, C.S. Wang, K.A. Jackson, M.R. Pederson, Phys. Rev. B 44 (1991) 6558; H.-P. Cheng, D.E. Ellis, J. Chem. Phys. 94 (1991) 3735; O.B. Christensen, M.L. Cohen, Phys. Rev. B 47 (1993) 13643; M. Castro, D.R. Salahub, Phys. Rev. B 49 (1994) 11842; X.G. Gong, Q.Q. Zheng, J. Phys.: C 7 (1995) 2421; P. Ballone, R.O. Jones, Chem. Phys. Lett. 233 (1995) 632; M. Castro, K. Jamorski, D.R. Salahub, Chem. Phys. Lett. 271 (1997) 133; T. Oda, A. Pasquarello, R. Car, Phys. Rev. Lett. 80 (1998) 3622; A.N. Andriotis, M. Menon, Phys. Rev. B 57 (1998) 10069; O. Diéguez, M.M.G. Alemany, C. Rey, P. Ordejón, L.J. Gallego, Phys. Rev. B 63 (2001) 205407; H.M. Duan, Q.Q. Zheng, Phys. Lett. A 280 (2001) 333; P. Bobadova-Parvanova, K.A. Jackson, S. Srinivas, M. Horoi, C. Köhler, G. Seifert, J. Chem. Phys. 116 (2002) 3576.
-
(1991)
Phys. Rev. B
, vol.44
, pp. 6558
-
-
Chen, J.L.1
Wang, C.S.2
Jackson, K.A.3
Pederson, M.R.4
-
33
-
-
36449002793
-
-
B.I. Dunlap, Phys. Rev. A 41 (1990) 5691; J.L. Chen, C.S. Wang, K.A. Jackson, M.R. Pederson, Phys. Rev. B 44 (1991) 6558; H.-P. Cheng, D.E. Ellis, J. Chem. Phys. 94 (1991) 3735; O.B. Christensen, M.L. Cohen, Phys. Rev. B 47 (1993) 13643; M. Castro, D.R. Salahub, Phys. Rev. B 49 (1994) 11842; X.G. Gong, Q.Q. Zheng, J. Phys.: C 7 (1995) 2421; P. Ballone, R.O. Jones, Chem. Phys. Lett. 233 (1995) 632; M. Castro, K. Jamorski, D.R. Salahub, Chem. Phys. Lett. 271 (1997) 133; T. Oda, A. Pasquarello, R. Car, Phys. Rev. Lett. 80 (1998) 3622; A.N. Andriotis, M. Menon, Phys. Rev. B 57 (1998) 10069; O. Diéguez, M.M.G. Alemany, C. Rey, P. Ordejón, L.J. Gallego, Phys. Rev. B 63 (2001) 205407; H.M. Duan, Q.Q. Zheng, Phys. Lett. A 280 (2001) 333; P. Bobadova-Parvanova, K.A. Jackson, S. Srinivas, M. Horoi, C. Köhler, G. Seifert, J. Chem. Phys. 116 (2002) 3576.
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 3735
-
-
Cheng, H.-P.1
Ellis, D.E.2
-
34
-
-
0000353133
-
-
B.I. Dunlap, Phys. Rev. A 41 (1990) 5691; J.L. Chen, C.S. Wang, K.A. Jackson, M.R. Pederson, Phys. Rev. B 44 (1991) 6558; H.-P. Cheng, D.E. Ellis, J. Chem. Phys. 94 (1991) 3735; O.B. Christensen, M.L. Cohen, Phys. Rev. B 47 (1993) 13643; M. Castro, D.R. Salahub, Phys. Rev. B 49 (1994) 11842; X.G. Gong, Q.Q. Zheng, J. Phys.: C 7 (1995) 2421; P. Ballone, R.O. Jones, Chem. Phys. Lett. 233 (1995) 632; M. Castro, K. Jamorski, D.R. Salahub, Chem. Phys. Lett. 271 (1997) 133; T. Oda, A. Pasquarello, R. Car, Phys. Rev. Lett. 80 (1998) 3622; A.N. Andriotis, M. Menon, Phys. Rev. B 57 (1998) 10069; O. Diéguez, M.M.G. Alemany, C. Rey, P. Ordejón, L.J. Gallego, Phys. Rev. B 63 (2001) 205407; H.M. Duan, Q.Q. Zheng, Phys. Lett. A 280 (2001) 333; P. Bobadova-Parvanova, K.A. Jackson, S. Srinivas, M. Horoi, C. Köhler, G. Seifert, J. Chem. Phys. 116 (2002) 3576.
-
(1993)
Phys. Rev. B
, vol.47
, pp. 13643
-
-
Christensen, O.B.1
Cohen, M.L.2
-
35
-
-
0000732180
-
-
B.I. Dunlap, Phys. Rev. A 41 (1990) 5691; J.L. Chen, C.S. Wang, K.A. Jackson, M.R. Pederson, Phys. Rev. B 44 (1991) 6558; H.-P. Cheng, D.E. Ellis, J. Chem. Phys. 94 (1991) 3735; O.B. Christensen, M.L. Cohen, Phys. Rev. B 47 (1993) 13643; M. Castro, D.R. Salahub, Phys. Rev. B 49 (1994) 11842; X.G. Gong, Q.Q. Zheng, J. Phys.: C 7 (1995) 2421; P. Ballone, R.O. Jones, Chem. Phys. Lett. 233 (1995) 632; M. Castro, K. Jamorski, D.R. Salahub, Chem. Phys. Lett. 271 (1997) 133; T. Oda, A. Pasquarello, R. Car, Phys. Rev. Lett. 80 (1998) 3622; A.N. Andriotis, M. Menon, Phys. Rev. B 57 (1998) 10069; O. Diéguez, M.M.G. Alemany, C. Rey, P. Ordejón, L.J. Gallego, Phys. Rev. B 63 (2001) 205407; H.M. Duan, Q.Q. Zheng, Phys. Lett. A 280 (2001) 333; P. Bobadova-Parvanova, K.A. Jackson, S. Srinivas, M. Horoi, C. Köhler, G. Seifert, J. Chem. Phys. 116 (2002) 3576.
-
(1994)
Phys. Rev. B
, vol.49
, pp. 11842
-
-
Castro, M.1
Salahub, D.R.2
-
36
-
-
0038017890
-
-
B.I. Dunlap, Phys. Rev. A 41 (1990) 5691; J.L. Chen, C.S. Wang, K.A. Jackson, M.R. Pederson, Phys. Rev. B 44 (1991) 6558; H.-P. Cheng, D.E. Ellis, J. Chem. Phys. 94 (1991) 3735; O.B. Christensen, M.L. Cohen, Phys. Rev. B 47 (1993) 13643; M. Castro, D.R. Salahub, Phys. Rev. B 49 (1994) 11842; X.G. Gong, Q.Q. Zheng, J. Phys.: C 7 (1995) 2421; P. Ballone, R.O. Jones, Chem. Phys. Lett. 233 (1995) 632; M. Castro, K. Jamorski, D.R. Salahub, Chem. Phys. Lett. 271 (1997) 133; T. Oda, A. Pasquarello, R. Car, Phys. Rev. Lett. 80 (1998) 3622; A.N. Andriotis, M. Menon, Phys. Rev. B 57 (1998) 10069; O. Diéguez, M.M.G. Alemany, C. Rey, P. Ordejón, L.J. Gallego, Phys. Rev. B 63 (2001) 205407; H.M. Duan, Q.Q. Zheng, Phys. Lett. A 280 (2001) 333; P. Bobadova-Parvanova, K.A. Jackson, S. Srinivas, M. Horoi, C. Köhler, G. Seifert, J. Chem. Phys. 116 (2002) 3576.
-
(1995)
J. Phys.: C
, vol.7
, pp. 2421
-
-
Gong, X.G.1
Zheng, Q.Q.2
-
37
-
-
0000242945
-
-
B.I. Dunlap, Phys. Rev. A 41 (1990) 5691; J.L. Chen, C.S. Wang, K.A. Jackson, M.R. Pederson, Phys. Rev. B 44 (1991) 6558; H.-P. Cheng, D.E. Ellis, J. Chem. Phys. 94 (1991) 3735; O.B. Christensen, M.L. Cohen, Phys. Rev. B 47 (1993) 13643; M. Castro, D.R. Salahub, Phys. Rev. B 49 (1994) 11842; X.G. Gong, Q.Q. Zheng, J. Phys.: C 7 (1995) 2421; P. Ballone, R.O. Jones, Chem. Phys. Lett. 233 (1995) 632; M. Castro, K. Jamorski, D.R. Salahub, Chem. Phys. Lett. 271 (1997) 133; T. Oda, A. Pasquarello, R. Car, Phys. Rev. Lett. 80 (1998) 3622; A.N. Andriotis, M. Menon, Phys. Rev. B 57 (1998) 10069; O. Diéguez, M.M.G. Alemany, C. Rey, P. Ordejón, L.J. Gallego, Phys. Rev. B 63 (2001) 205407; H.M. Duan, Q.Q. Zheng, Phys. Lett. A 280 (2001) 333; P. Bobadova-Parvanova, K.A. Jackson, S. Srinivas, M. Horoi, C. Köhler, G. Seifert, J. Chem. Phys. 116 (2002) 3576.
-
(1995)
Chem. Phys. Lett.
, vol.233
, pp. 632
-
-
Ballone, P.1
Jones, R.O.2
-
38
-
-
0031555994
-
-
B.I. Dunlap, Phys. Rev. A 41 (1990) 5691; J.L. Chen, C.S. Wang, K.A. Jackson, M.R. Pederson, Phys. Rev. B 44 (1991) 6558; H.-P. Cheng, D.E. Ellis, J. Chem. Phys. 94 (1991) 3735; O.B. Christensen, M.L. Cohen, Phys. Rev. B 47 (1993) 13643; M. Castro, D.R. Salahub, Phys. Rev. B 49 (1994) 11842; X.G. Gong, Q.Q. Zheng, J. Phys.: C 7 (1995) 2421; P. Ballone, R.O. Jones, Chem. Phys. Lett. 233 (1995) 632; M. Castro, K. Jamorski, D.R. Salahub, Chem. Phys. Lett. 271 (1997) 133; T. Oda, A. Pasquarello, R. Car, Phys. Rev. Lett. 80 (1998) 3622; A.N. Andriotis, M. Menon, Phys. Rev. B 57 (1998) 10069; O. Diéguez, M.M.G. Alemany, C. Rey, P. Ordejón, L.J. Gallego, Phys. Rev. B 63 (2001) 205407; H.M. Duan, Q.Q. Zheng, Phys. Lett. A 280 (2001) 333; P. Bobadova-Parvanova, K.A. Jackson, S. Srinivas, M. Horoi, C. Köhler, G. Seifert, J. Chem. Phys. 116 (2002) 3576.
-
(1997)
Chem. Phys. Lett.
, vol.271
, pp. 133
-
-
Castro, M.1
Jamorski, K.2
Salahub, D.R.3
-
39
-
-
0001029098
-
-
B.I. Dunlap, Phys. Rev. A 41 (1990) 5691; J.L. Chen, C.S. Wang, K.A. Jackson, M.R. Pederson, Phys. Rev. B 44 (1991) 6558; H.-P. Cheng, D.E. Ellis, J. Chem. Phys. 94 (1991) 3735; O.B. Christensen, M.L. Cohen, Phys. Rev. B 47 (1993) 13643; M. Castro, D.R. Salahub, Phys. Rev. B 49 (1994) 11842; X.G. Gong, Q.Q. Zheng, J. Phys.: C 7 (1995) 2421; P. Ballone, R.O. Jones, Chem. Phys. Lett. 233 (1995) 632; M. Castro, K. Jamorski, D.R. Salahub, Chem. Phys. Lett. 271 (1997) 133; T. Oda, A. Pasquarello, R. Car, Phys. Rev. Lett. 80 (1998) 3622; A.N. Andriotis, M. Menon, Phys. Rev. B 57 (1998) 10069; O. Diéguez, M.M.G. Alemany, C. Rey, P. Ordejón, L.J. Gallego, Phys. Rev. B 63 (2001) 205407; H.M. Duan, Q.Q. Zheng, Phys. Lett. A 280 (2001) 333; P. Bobadova-Parvanova, K.A. Jackson, S. Srinivas, M. Horoi, C. Köhler, G. Seifert, J. Chem. Phys. 116 (2002) 3576.
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 3622
-
-
Oda, T.1
Pasquarello, A.2
Car, R.3
-
40
-
-
0000675449
-
-
B.I. Dunlap, Phys. Rev. A 41 (1990) 5691; J.L. Chen, C.S. Wang, K.A. Jackson, M.R. Pederson, Phys. Rev. B 44 (1991) 6558; H.-P. Cheng, D.E. Ellis, J. Chem. Phys. 94 (1991) 3735; O.B. Christensen, M.L. Cohen, Phys. Rev. B 47 (1993) 13643; M. Castro, D.R. Salahub, Phys. Rev. B 49 (1994) 11842; X.G. Gong, Q.Q. Zheng, J. Phys.: C 7 (1995) 2421; P. Ballone, R.O. Jones, Chem. Phys. Lett. 233 (1995) 632; M. Castro, K. Jamorski, D.R. Salahub, Chem. Phys. Lett. 271 (1997) 133; T. Oda, A. Pasquarello, R. Car, Phys. Rev. Lett. 80 (1998) 3622; A.N. Andriotis, M. Menon, Phys. Rev. B 57 (1998) 10069; O. Diéguez, M.M.G. Alemany, C. Rey, P. Ordejón, L.J. Gallego, Phys. Rev. B 63 (2001) 205407; H.M. Duan, Q.Q. Zheng, Phys. Lett. A 280 (2001) 333; P. Bobadova-Parvanova, K.A. Jackson, S. Srinivas, M. Horoi, C. Köhler, G. Seifert, J. Chem. Phys. 116 (2002) 3576.
-
(1998)
Phys. Rev. B
, vol.57
, pp. 10069
-
-
Andriotis, A.N.1
Menon, M.2
-
41
-
-
0034906858
-
-
B.I. Dunlap, Phys. Rev. A 41 (1990) 5691; J.L. Chen, C.S. Wang, K.A. Jackson, M.R. Pederson, Phys. Rev. B 44 (1991) 6558; H.-P. Cheng, D.E. Ellis, J. Chem. Phys. 94 (1991) 3735; O.B. Christensen, M.L. Cohen, Phys. Rev. B 47 (1993) 13643; M. Castro, D.R. Salahub, Phys. Rev. B 49 (1994) 11842; X.G. Gong, Q.Q. Zheng, J. Phys.: C 7 (1995) 2421; P. Ballone, R.O. Jones, Chem. Phys. Lett. 233 (1995) 632; M. Castro, K. Jamorski, D.R. Salahub, Chem. Phys. Lett. 271 (1997) 133; T. Oda, A. Pasquarello, R. Car, Phys. Rev. Lett. 80 (1998) 3622; A.N. Andriotis, M. Menon, Phys. Rev. B 57 (1998) 10069; O. Diéguez, M.M.G. Alemany, C. Rey, P. Ordejón, L.J. Gallego, Phys. Rev. B 63 (2001) 205407; H.M. Duan, Q.Q. Zheng, Phys. Lett. A 280 (2001) 333; P. Bobadova-Parvanova, K.A. Jackson, S. Srinivas, M. Horoi, C. Köhler, G. Seifert, J. Chem. Phys. 116 (2002) 3576.
-
(2001)
Phys. Rev. B
, vol.63
, pp. 205407
-
-
Diéguez, O.1
Alemany, M.M.G.2
Rey, C.3
Ordejón, P.4
Gallego, L.J.5
-
42
-
-
0035809630
-
-
B.I. Dunlap, Phys. Rev. A 41 (1990) 5691; J.L. Chen, C.S. Wang, K.A. Jackson, M.R. Pederson, Phys. Rev. B 44 (1991) 6558; H.-P. Cheng, D.E. Ellis, J. Chem. Phys. 94 (1991) 3735; O.B. Christensen, M.L. Cohen, Phys. Rev. B 47 (1993) 13643; M. Castro, D.R. Salahub, Phys. Rev. B 49 (1994) 11842; X.G. Gong, Q.Q. Zheng, J. Phys.: C 7 (1995) 2421; P. Ballone, R.O. Jones, Chem. Phys. Lett. 233 (1995) 632; M. Castro, K. Jamorski, D.R. Salahub, Chem. Phys. Lett. 271 (1997) 133; T. Oda, A. Pasquarello, R. Car, Phys. Rev. Lett. 80 (1998) 3622; A.N. Andriotis, M. Menon, Phys. Rev. B 57 (1998) 10069; O. Diéguez, M.M.G. Alemany, C. Rey, P. Ordejón, L.J. Gallego, Phys. Rev. B 63 (2001) 205407; H.M. Duan, Q.Q. Zheng, Phys. Lett. A 280 (2001) 333; P. Bobadova-Parvanova, K.A. Jackson, S. Srinivas, M. Horoi, C. Köhler, G. Seifert, J. Chem. Phys. 116 (2002) 3576.
-
(2001)
Phys. Lett. A
, vol.280
, pp. 333
-
-
Duan, H.M.1
Zheng, Q.Q.2
-
43
-
-
0036492347
-
-
B.I. Dunlap, Phys. Rev. A 41 (1990) 5691; J.L. Chen, C.S. Wang, K.A. Jackson, M.R. Pederson, Phys. Rev. B 44 (1991) 6558; H.-P. Cheng, D.E. Ellis, J. Chem. Phys. 94 (1991) 3735; O.B. Christensen, M.L. Cohen, Phys. Rev. B 47 (1993) 13643; M. Castro, D.R. Salahub, Phys. Rev. B 49 (1994) 11842; X.G. Gong, Q.Q. Zheng, J. Phys.: C 7 (1995) 2421; P. Ballone, R.O. Jones, Chem. Phys. Lett. 233 (1995) 632; M. Castro, K. Jamorski, D.R. Salahub, Chem. Phys. Lett. 271 (1997) 133; T. Oda, A. Pasquarello, R. Car, Phys. Rev. Lett. 80 (1998) 3622; A.N. Andriotis, M. Menon, Phys. Rev. B 57 (1998) 10069; O. Diéguez, M.M.G. Alemany, C. Rey, P. Ordejón, L.J. Gallego, Phys. Rev. B 63 (2001) 205407; H.M. Duan, Q.Q. Zheng, Phys. Lett. A 280 (2001) 333; P. Bobadova-Parvanova, K.A. Jackson, S. Srinivas, M. Horoi, C. Köhler, G. Seifert, J. Chem. Phys. 116 (2002) 3576.
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 3576
-
-
Bobadova-Parvanova, P.1
Jackson, K.A.2
Srinivas, S.3
Horoi, M.4
Köhler, C.5
Seifert, G.6
-
49
-
-
0001567192
-
-
W.J. Balfour, J. Cao, C.V.V. Prasad, C.X.W. Qian, J. Chem. Phys. 103 (1995) 4046.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 4046
-
-
Balfour, W.J.1
Cao, J.2
Prasad, C.V.V.3
Qian, C.X.W.4
-
53
-
-
0002975986
-
-
J.W.-H. Leung, W.S. Tam, Q. Ran, A.S.-C. Cheung, Chem. Phys. Lett. 343 (2001) 64.
-
(2001)
Chem. Phys. Lett.
, vol.343
, pp. 64
-
-
Leung, J.W.-H.1
Tam, W.S.2
Ran, Q.3
Cheung, A.S.-C.4
-
57
-
-
0031250859
-
-
C. Angeli, G. Berthier, C. Rolando, M. Sablier, C. Alcaraz, O. Dutuit, J. Phys. Chem. A 101 (1997) 7907.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 7907
-
-
Angeli, C.1
Berthier, G.2
Rolando, C.3
Sablier, M.4
Alcaraz, C.5
Dutuit, O.6
-
59
-
-
0002453685
-
-
E. Bominaar, J. Guillin, V.R. Marathe, A. Sawaryn, A.X. Trautwein, Hyp. Interact. 40 (1988) 111.
-
(1988)
Hyp. Interact.
, vol.40
, pp. 111
-
-
Bominaar, E.1
Guillin, J.2
Marathe, V.R.3
Sawaryn, A.4
Trautwein, A.X.5
-
62
-
-
0000314829
-
-
G.L. Gutsev, B.V. Reddy, S.N. Khanna, B.K. Rao, P. Jena, Phys. Rev. B 58 (1998) 14131.
-
(1998)
Phys. Rev. B
, vol.58
, pp. 14131
-
-
Gutsev, G.L.1
Reddy, B.V.2
Khanna, S.N.3
Rao, B.K.4
Jena, P.5
-
65
-
-
0035936336
-
-
S.S. Itono, T. Taketsugu, T. Hirano, U. Nagashima, J. Chem. Phys. 115 (2001) 11213.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 11213
-
-
Itono, S.S.1
Taketsugu, T.2
Hirano, T.3
Nagashima, U.4
-
68
-
-
0003662632
-
-
Gaussian, Inc, Pittsburgh, PA
-
M.J. Frisch et al., Gaussian 98, Revision A.11, Gaussian, Inc, Pittsburgh, PA, 2001.
-
(2001)
Gaussian 98, Revision A.11
-
-
Frisch, M.J.1
-
74
-
-
33751157732
-
-
P.J. Stevens, F.J. Devlin, C.F. Chablowski, M.J. Frisch, J. Phys. Chem. 98 (1994) 11623.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623
-
-
Stevens, P.J.1
Devlin, F.J.2
Chablowski, C.F.3
Frisch, M.J.4
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