-
1
-
-
0000059683
-
-
JCPSA6 0021-9606 10.1063/1.452877
-
S. M. Beck, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.452877 87, 4233 (1987);
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 4233
-
-
Beck, S.M.1
-
2
-
-
33646611950
-
-
JCPSA6 0021-9606 10.1063/1.456684
-
S. M. Beck, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.456684 90, 6306 (1989).
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 6306
-
-
Beck, S.M.1
-
3
-
-
0035939418
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.87.045503
-
V. Kumar and Y. Kawazoe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.045503 87, 045503 (2001);
-
(2001)
Phys. Rev. Lett.
, vol.87
, pp. 045503
-
-
Kumar, V.1
Kawazoe, Y.2
-
4
-
-
0346846613
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.91.199901
-
V. Kumar and Y. Kawazoe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.199901 91, 199901 (E) (2003).
-
(2003)
Phys. Rev. Lett.
, vol.91
, pp. 199901
-
-
Kumar, V.1
Kawazoe, Y.2
-
6
-
-
0037084629
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.65.073404
-
V. Kumar and Y. Kawazoe, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.073404 65, 073404 (2002);
-
(2002)
Phys. Rev. B
, vol.65
, pp. 073404
-
-
Kumar, V.1
Kawazoe, Y.2
-
7
-
-
0037105048
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.66.121403
-
T. Miyazaki, H. Hiura, and T. Kanayama, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.121403 66, 121403 (2002);
-
(2002)
Phys. Rev. B
, vol.66
, pp. 121403
-
-
Miyazaki, T.1
Hiura, H.2
Kanayama, T.3
-
8
-
-
0038304187
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.90.115506
-
J. Lu and S. Nagase, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.115506 90, 115506 (2003);
-
(2003)
Phys. Rev. Lett.
, vol.90
, pp. 115506
-
-
Lu, J.1
Nagase, S.2
-
9
-
-
0036641553
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.89.016803
-
S. N. Khanna, B. K. Rao, and P. Jena, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.016803 89, 016803 (2002);
-
(2002)
Phys. Rev. Lett.
, vol.89
, pp. 016803
-
-
Khanna, S.N.1
Rao, B.K.2
Jena, P.3
-
10
-
-
0242608416
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.68.125407
-
G. Mpourmpakis, G. E. Froudakis, A. N. Andriotis, and M. Menon, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.125407 68, 125407 (2003);
-
(2003)
Phys. Rev. B
, vol.68
, pp. 125407
-
-
Mpourmpakis, G.1
Froudakis, G.E.2
Andriotis, A.N.3
Menon, M.4
-
11
-
-
22944435195
-
-
JCPSA6 0021-9606 10.1063/1.1851984
-
W. Zheng, J. M. Nilles, D. Radisic, and K. H. Bowen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1851984 122, 071101 (2005);
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 071101
-
-
Zheng, W.1
Nilles, J.M.2
Radisic, D.3
Bowen, K.H.4
-
12
-
-
15744394406
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.71.075423
-
H. Kawamura, V. Kumar, and Y. Kawazoe, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.075423 71, 075423 (2005).
-
(2005)
Phys. Rev. B
, vol.71
, pp. 075423
-
-
Kawamura, H.1
Kumar, V.2
Kawazoe, Y.3
-
13
-
-
3142675074
-
-
CMMSEM 0927-0256 10.1016/j.commatsci.2004.03.012
-
V. Kumar, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/j.commatsci.2004. 03.012 30, 260 (2004) and references therein.
-
(2004)
Comput. Mater. Sci.
, vol.30
, pp. 260
-
-
Kumar, V.1
-
15
-
-
0037054174
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.88.235504
-
V. Kumar and Y. Kawazoe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.235504 88, 235504 (2002).
-
(2002)
Phys. Rev. Lett.
, vol.88
, pp. 235504
-
-
Kumar, V.1
Kawazoe, Y.2
-
16
-
-
0142089011
-
-
APPLAB 0003-6951 10.1063/1.1609661
-
V. Kumar and Y. Kawazoe, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1609661 83, 2677 (2003).
-
(2003)
Appl. Phys. Lett.
, vol.83
, pp. 2677
-
-
Kumar, V.1
Kawazoe, Y.2
-
17
-
-
17144397998
-
-
JACSAT 0002-7863 10.1021/ja045380t
-
K. Koyasu, M. Akutsu, M. Mitsui, and A. Nakajima, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja045380t 127, 4998 (2005);
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 4998
-
-
Koyasu, K.1
Akutsu, M.2
Mitsui, M.3
Nakajima, A.4
-
18
-
-
0037424727
-
-
CHPLBC 0009-2614 10.1016/S0009-2614(03)00299-9
-
M. Ohara, K. Koyasu, A. Nakajima, and K. Kaya, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(03)00299-9 371, 490 (2003).
-
(2003)
Chem. Phys. Lett.
, vol.371
, pp. 490
-
-
Ohara, M.1
Koyasu, K.2
Nakajima, A.3
Kaya, K.4
-
19
-
-
2942613687
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.92.163401
-
S. Neukermans, E. Janssens, Z. F. Chen, R. E. Silverans, P. v. R. Schleyer, and P. Lievens, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 92.163401 92, 163401 (2004).
-
(2004)
Phys. Rev. Lett.
, vol.92
, pp. 163401
-
-
Neukermans, S.1
Janssens, E.2
Chen, Z.F.3
Silverans, R.E.4
V. Schleyer R, P.5
Lievens, P.6
-
21
-
-
0038151175
-
-
CMLTAG 0366-7022
-
M. Harada, S. Osawa, E. Osawa, and E. D. Jemmis, Chem. Lett. CMLTAG 0366-7022 1, 1037 (1994).
-
(1994)
Chem. Lett.
, vol.1
, pp. 1037
-
-
Harada, M.1
Osawa, S.2
Osawa, E.3
Jemmis, E.D.4
-
23
-
-
0037097261
-
-
IJQCB2 0020-7608 10.1002/qua.10192
-
E. F. Sheka, E. A. Nikitina, V. A. Zayets, and I. Y. Ginzburg, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/qua.10192 88, 441 (2002).
-
(2002)
Int. J. Quantum Chem.
, vol.88
, pp. 441
-
-
Sheka, E.F.1
Nikitina, E.A.2
Zayets, V.A.3
Ginzburg, I.Y.4
-
24
-
-
0001103135
-
-
JPCBFK 1089-5647 10.1021/jp990747f
-
H. Tanaka, S. Osawa, J. Onoe, and K. Takeuchi, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp990747f 103, 5939 (1999).
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 5939
-
-
Tanaka, H.1
Osawa, S.2
Onoe, J.3
Takeuchi, K.4
-
25
-
-
0005738540
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.52.4756
-
X. G. Gong and Q. Q. Zheng, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.52.4756 52, 4756 (1995).
-
(1995)
Phys. Rev. B
, vol.52
, pp. 4756
-
-
Gong, X.G.1
Zheng, Q.Q.2
-
26
-
-
4243772125
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.90.135503
-
Q. Sun, Q. Wang, P. Jena, B. K. Rao, and Y. Kawazoe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.135503 90, 135503 (2003).
-
(2003)
Phys. Rev. Lett.
, vol.90
, pp. 135503
-
-
Sun, Q.1
Wang, Q.2
Jena, P.3
Rao, B.K.4
Kawazoe, Y.5
-
27
-
-
0030599988
-
-
CHPLBC 0009-2614 10.1016/0009-2614(96)00315-6
-
K. Jackson and B. Nellermore, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(96)00315-6 254, 249 (1996).
-
(1996)
Chem. Phys. Lett.
, vol.254
, pp. 249
-
-
Jackson, K.1
Nellermore, B.2
-
28
-
-
0037096562
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.65.235417
-
Q. Sun, Q. Wang, T. M. Briere, V. Kumar, Y. Kawazoe, and P. Jena, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.235417 65, 235417 (2002);
-
(2002)
Phys. Rev. B
, vol.65
, pp. 235417
-
-
Sun, Q.1
Wang, Q.2
Briere, T.M.3
Kumar, V.4
Kawazoe, Y.5
Jena, P.6
-
29
-
-
0001272376
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.64.155403
-
T. Nagano, K. Tsumuraya, H. Eguchi, and D. J. Singh, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.155403 64, 155403 (2001).
-
(2001)
Phys. Rev. B
, vol.64
, pp. 155403
-
-
Nagano, T.1
Tsumuraya, K.2
Eguchi, H.3
Singh, D.J.4
-
30
-
-
20144365277
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.71.115429
-
A. K. Singh, V. Kumar, and Y. Kawazoe, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.115429 71, 115429 (2005).
-
(2005)
Phys. Rev. B
, vol.71
, pp. 115429
-
-
Singh, A.K.1
Kumar, V.2
Kawazoe, Y.3
-
31
-
-
0004009372
-
-
6th ed. (John Willey and Sons, Inc., New York
-
F. A. Cotton, G. Wilkinson, C. A. Murillo, and M. Boachmann, Advanced Inorganic Chemistry, 6th ed. (John Willey and Sons, Inc., New York, 1999).
-
(1999)
Advanced Inorganic Chemistry
-
-
Cotton, F.A.1
Wilkinson, G.2
Murillo, C.A.3
Boachmann, M.4
-
32
-
-
0011236321
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.59.1758
-
G. Kresse and J. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758
-
-
Kresse, G.1
Joubert, J.2
-
33
-
-
25744460922
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
-
P. Blöechl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.17953 50, 17953 (1994).
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953
-
-
Blöechl, P.1
-
34
-
-
0003754095
-
-
edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin
-
J. P. Perdew, in Electronic Structure of Solids '91, edited by, P. Ziesche, and, H. Eschrig, (Akademie Verlag, Berlin, 1991). '
-
(1991)
Electronic Structure of Solids '91
-
-
Perdew, J.P.1
-
37
-
-
1442312891
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.69.035208
-
F. Tournus, B. Masenelli, P. Mélinon, D. Connétable, X. Blasé, A. M. Flank, P. Lagarde, C. Cros, and M. Pouchard, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.035208 69, 035208 (2004) and references therein.
-
(2004)
Phys. Rev. B
, vol.69
, pp. 035208
-
-
Tournus, F.1
Masenelli, B.2
Mélinon, P.3
Connétable, D.4
Blasé, X.5
Flank, A.M.6
Lagarde, P.7
Cros, C.8
Pouchard, M.9
|