-
7
-
-
4243606192
-
-
Car, R. and Parrinello, M., Phys. Rev. Lett., 55, 1985, 2471.
-
(1985)
Phys. Rev. Lett.
, vol.55
, pp. 2471
-
-
Car, R.1
Parrinello, M.2
-
8
-
-
0002803188
-
-
Edited by A. Polian and P. Loubeyre, Plenum, New York
-
Car, R., Parrinello, M., in Simple Molecular Systems and Very High Density (Edited by A. Polian and P. Loubeyre), p. 455. Plenum, New York, 1989.
-
(1989)
Simple Molecular Systems and Very High Density
, pp. 455
-
-
Car, R.1
Parrinello, M.2
-
11
-
-
11944256577
-
-
Payne, M.C., Teter, M.P., Allan, D.C., Arias, T.A. and Joannopoulos, J.D., Rev. Mod. Phys., 64, 1992, 1045.
-
(1992)
Rev. Mod. Phys.
, vol.64
, pp. 1045
-
-
Payne, M.C.1
Teter, M.P.2
Allan, D.C.3
Arias, T.A.4
Joannopoulos, J.D.5
-
12
-
-
0001496730
-
-
Barnett, R.N. and Landman, U., Phys. Rev., B48, 1993, 2081.
-
(1993)
Phys. Rev.
, vol.B48
, pp. 2081
-
-
Barnett, R.N.1
Landman, U.2
-
13
-
-
0001332362
-
-
Hammes-Schiffer, S. and Andersen, H.C., J. Chem. Phys., 99, 1993, 523.
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 523
-
-
Hammes-Schiffer, S.1
Andersen, H.C.2
-
14
-
-
33947720487
-
-
Hartke, B. and Carter, E.A., J. Chem. Phys., 97, 1992, 6569.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 6569
-
-
Hartke, B.1
Carter, E.A.2
-
15
-
-
0001372051
-
-
Hartke, B. and Carter, E.A., Chem. Phys. Lett., 189, 1992, 358.
-
(1992)
Chem. Phys. Lett.
, vol.189
, pp. 358
-
-
Hartke, B.1
Carter, E.A.2
-
16
-
-
84990642715
-
-
Hartke, B., Gibson, D.A. and Carter, E.A., Int. J. Quantum Chem., 45, 1993, 59.
-
(1993)
Int. J. Quantum Chem.
, vol.45
, pp. 59
-
-
Hartke, B.1
Gibson, D.A.2
Carter, E.A.3
-
17
-
-
0000530285
-
-
Gibson, D.A. and Carter, E.A., J. Phys. Chem., 97, 1993, 13429.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 13429
-
-
Gibson, D.A.1
Carter, E.A.2
-
19
-
-
0003398526
-
-
Springer-Verlag, Berlin, Heidelberg
-
Dreitzler, R.M. and Gross, E.K.U., Density-Functional Theory. Springer-Verlag, Berlin, Heidelberg, 1990.
-
(1990)
Density-functional Theory
-
-
Dreitzler, R.M.1
Gross, E.K.U.2
-
20
-
-
51149210200
-
-
Jones, R.O. and Gunnarsson, O., Rev. Mod. Phys., 61, 1989, 689.
-
(1989)
Rev. Mod. Phys.
, vol.61
, pp. 689
-
-
Jones, R.O.1
Gunnarsson, O.2
-
21
-
-
0023379094
-
-
Srivastava, G.P. and Weaire, D., Adv. Phys., 36, 1987, 463.
-
(1987)
Adv. Phys.
, vol.36
, pp. 463
-
-
Srivastava, G.P.1
Weaire, D.2
-
24
-
-
33744691386
-
-
Ceperley, D.M. and Alder, B.J., Phys. Rev. Lett., 45, 1980, 566.
-
(1980)
Phys. Rev. Lett.
, vol.45
, pp. 566
-
-
Ceperley, D.M.1
Alder, B.J.2
-
25
-
-
16444375810
-
-
Johnson, B.G., Gill, P.M.W. and Pople, J.A., J. Chem. Phys., 98, 1993, 5612.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5612
-
-
Johnson, B.G.1
Gill, P.M.W.2
Pople, J.A.3
-
26
-
-
0001042824
-
-
Sim, F., St-Amant, A., Papai, I. and Salahub, D.R., J. Am. Chem. Soc., 114, 1992, 4391.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 4391
-
-
Sim, F.1
St-Amant, A.2
Papai, I.3
Salahub, D.R.4
-
28
-
-
23644452342
-
-
Yin, M.T. and Cohen, M.L., Phys. Rev., B26, 1982, 5668.
-
(1982)
Phys. Rev.
, vol.B26
, pp. 5668
-
-
Yin, M.T.1
Cohen, M.L.2
-
32
-
-
4244217973
-
-
Gygi, F., Phys. Rev., B48, 1993, 11692.
-
(1993)
Phys. Rev.
, vol.B48
, pp. 11692
-
-
Gygi, F.1
-
33
-
-
0000812184
-
-
Gygi, F., Phys. Rev., B51, 1995, 11190.
-
(1995)
Phys. Rev.
, vol.B51
, pp. 11190
-
-
Gygi, F.1
-
36
-
-
33645426115
-
-
Troullier, N. and Martins, J.L., Phys. Rev., B43, 1991, 1993.
-
(1991)
Phys. Rev.
, vol.B43
, pp. 1993
-
-
Troullier, N.1
Martins, J.L.2
-
37
-
-
0000824211
-
-
Rappe, A. et al., Phys. Rev., B41, 1990, 1227.
-
(1990)
Phys. Rev.
, vol.B41
, pp. 1227
-
-
Rappe, A.1
-
38
-
-
0001139472
-
-
Lin, J.S. et al., Phys. Rev., B47, 1993, 4174.
-
(1993)
Phys. Rev.
, vol.B47
, pp. 4174
-
-
Lin, J.S.1
-
40
-
-
34247648401
-
-
Laasonen, K., Pasquarello, A., Car, R., Lee, C. and Vanderbilt, D., Phys. Rev., B47, 1993, 10142.
-
(1993)
Phys. Rev.
, vol.B47
, pp. 10142
-
-
Laasonen, K.1
Pasquarello, A.2
Car, R.3
Lee, C.4
Vanderbilt, D.5
-
42
-
-
0023341987
-
-
Car, R. and Parrinello, M., Solid State Commun., 62, 1987, 403.
-
(1987)
Solid State Commun.
, vol.62
, pp. 403
-
-
Car, R.1
Parrinello, M.2
-
43
-
-
3843133047
-
-
Chelikowsky, J.R., Troullier, N. and Saad, Y., Phys. Rev. Lett., 72, 1994, 1240.
-
(1994)
Phys. Rev. Lett.
, vol.72
, pp. 1240
-
-
Chelikowsky, J.R.1
Troullier, N.2
Saad, Y.3
-
45
-
-
12044256405
-
-
Cho, K., Arias, T.A., Joannopoulos, J.D. and Lam, P.K., Phys. Rev. Lett., 71, 1993, 1808.
-
(1993)
Phys. Rev. Lett.
, vol.71
, pp. 1808
-
-
Cho, K.1
Arias, T.A.2
Joannopoulos, J.D.3
Lam, P.K.4
-
46
-
-
0000060376
-
-
Bylander, D.M., Kleinman, L. and Lee, S., Phys. Rev., B42, 1990, 1394.
-
(1990)
Phys. Rev.
, vol.B42
, pp. 1394
-
-
Bylander, D.M.1
Kleinman, L.2
Lee, S.3
-
47
-
-
0000625523
-
-
Stich, I., Car, R., Parrinello, M. and Baroni, S., Phys. Rev., B39, 1989, 4997.
-
(1989)
Phys. Rev.
, vol.B39
, pp. 4997
-
-
Stich, I.1
Car, R.2
Parrinello, M.3
Baroni, S.4
-
48
-
-
33645885675
-
-
Teter, M.P., Payne, M.C. and Allen, D.C., Phys. Rev., B40, 1989, 12255.
-
(1989)
Phys. Rev.
, vol.B40
, pp. 12255
-
-
Teter, M.P.1
Payne, M.C.2
Allen, D.C.3
-
49
-
-
0028392759
-
-
Hutter, J., Luethi, H.P. and Parrinello, M., Comp. Mater. Sci., 2, 1994, 244.
-
(1994)
Comp. Mater. Sci.
, vol.2
, pp. 244
-
-
Hutter, J.1
Luethi, H.P.2
Parrinello, M.3
-
50
-
-
33645704666
-
-
Mauri, F., Galli, G. and Car, R., Phys. Rev., B47, 1993, 9973.
-
(1993)
Phys. Rev.
, vol.B47
, pp. 9973
-
-
Mauri, F.1
Galli, G.2
Car, R.3
-
51
-
-
33744671412
-
-
Ordejón, P., Drabold, D.A., Grumbach, M.P. and Martin, R.M., Phys. Rev., B48, 1993, 14646.
-
(1993)
Phys. Rev.
, vol.B48
, pp. 14646
-
-
Ordejón, P.1
Drabold, D.A.2
Grumbach, M.P.3
Martin, R.M.4
-
52
-
-
0001384481
-
-
Hutter, J., Parrinello, M. and Vogel, S., J. Chem. Phys., 101, 1994, 3862.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 3862
-
-
Hutter, J.1
Parrinello, M.2
Vogel, S.3
-
53
-
-
0000337910
-
-
Pastore, G., Smargiassi, E. and Buda, F., Phys. Rev., A44, 1991, 6334.
-
(1991)
Phys. Rev.
, vol.A44
, pp. 6334
-
-
Pastore, G.1
Smargiassi, E.2
Buda, F.3
-
54
-
-
24444435522
-
-
Blöchl, P.E. and Parrinello, M., Phys. Rev., B45, 1992, 9413.
-
(1992)
Phys. Rev.
, vol.B45
, pp. 9413
-
-
Blöchl, P.E.1
Parrinello, M.2
-
55
-
-
27744460065
-
-
Kresse, G. and Hafner, J., Phys. Rev., B49, 1994, 14251; Takeuchi, N. and Garzón, I.L., Phys. Rev., B50, 1994, 8342.
-
(1994)
Phys. Rev.
, vol.B49
, pp. 14251
-
-
Kresse, G.1
Hafner, J.2
-
56
-
-
0001268630
-
-
Kresse, G. and Hafner, J., Phys. Rev., B49, 1994, 14251; Takeuchi, N. and Garzón, I.L., Phys. Rev., B50, 1994, 8342.
-
(1994)
Phys. Rev.
, vol.B50
, pp. 8342
-
-
Takeuchi, N.1
Garzón, I.L.2
-
57
-
-
0011945520
-
-
Focher, P., Chiarotti, G.L., Bernasconi, M., Tosatti, E. and Parrinello, M., Europhys. Lett., 36, 1994, 345.
-
(1994)
Europhys. Lett.
, vol.36
, pp. 345
-
-
Focher, P.1
Chiarotti, G.L.2
Bernasconi, M.3
Tosatti, E.4
Parrinello, M.5
-
58
-
-
0043210922
-
-
PhD thesis, SISSA, Trieste
-
Focher, P., PhD thesis, SISSA, Trieste, 1994.
-
(1994)
-
-
Focher, P.1
-
59
-
-
34249764645
-
-
Marx, D. and Parrinello, M., Z. Phys., B95, 1994, 143.
-
(1994)
Z. Phys.
, vol.B95
, pp. 143
-
-
Marx, D.1
Parrinello, M.2
-
60
-
-
26344466158
-
-
Stich, I., Car, R. and Parrinello, M., Phys. Rev. Lett., 63, 1989, 2240.
-
(1989)
Phys. Rev. Lett.
, vol.63
, pp. 2240
-
-
Stich, I.1
Car, R.2
Parrinello, M.3
-
61
-
-
35949012853
-
-
Stich, I., Car, R. and Parrinello, M., Phys. Rev., B44, 1991, 11092.
-
(1991)
Phys. Rev.
, vol.B44
, pp. 11092
-
-
Stich, I.1
Car, R.2
Parrinello, M.3
-
62
-
-
0027698124
-
-
Chelikowsky, J.R. and Binggeli, N., Solid State Commun., 88, 1993, 381.
-
(1993)
Solid State Commun.
, vol.88
, pp. 381
-
-
Chelikowsky, J.R.1
Binggeli, N.2
-
63
-
-
0001717142
-
-
Stich, I., Parrinello, M. and Holender, J.M., Phys. Rev. Lett., 76, 1996, 2077.
-
(1996)
Phys. Rev. Lett.
, vol.76
, pp. 2077
-
-
Stich, I.1
Parrinello, M.2
Holender, J.M.3
-
64
-
-
0000207728
-
-
Sugino, O. and Car, R., Phys. Rev. Lett., 74, 1995, 1823.
-
(1995)
Phys. Rev. Lett.
, vol.74
, pp. 1823
-
-
Sugino, O.1
Car, R.2
-
65
-
-
0005877456
-
-
Edited by R.F. Wood, C.W. White and R.T. Young Academic, Orlando, and references quoted therein
-
Pulsed Laser Processing of Semiconductors (Edited by R.F. Wood, C.W. White and R.T. Young), Vol. 23. Academic, Orlando, 1984 (and references quoted therein).
-
(1984)
Pulsed Laser Processing of Semiconductors
, vol.23
-
-
-
66
-
-
0042208655
-
-
Edited by M.D. Levenson, E. Mazur, P.S. Pershan and Y.R. Shen. World Scientific, Singapore, and references quoted therein
-
Resonances - A Volume in Honor of the 70th Birthday of Nicolaas Bloembergen (Edited by M.D. Levenson, E. Mazur, P.S. Pershan and Y.R. Shen). World Scientific, Singapore, 1990 (and references quoted therein).
-
(1990)
Resonances - A Volume in Honor of the 70th Birthday of Nicolaas Bloembergen
-
-
-
69
-
-
12044249266
-
-
Alavi, A., Kohanoff, J., Parrinello, M. and Frenkel, D., Phys. Rev. Lett., 73, 1994, 2599.
-
(1994)
Phys. Rev. Lett.
, vol.73
, pp. 2599
-
-
Alavi, A.1
Kohanoff, J.2
Parrinello, M.3
Frenkel, D.4
-
70
-
-
4243628651
-
-
Silvestrelli, P.L., Alavi, A., Parrinello, M. and Frenkel, D., Phys. Rev. Lett., 77, 1996, 3149.
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3149
-
-
Silvestrelli, P.L.1
Alavi, A.2
Parrinello, M.3
Frenkel, D.4
-
71
-
-
26544447599
-
-
Laasonen, K., Sprik, M., Parrinello, M. and Car, R., J. Chem. Phys., 99, 1993, 9080.
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 9080
-
-
Laasonen, K.1
Sprik, M.2
Parrinello, M.3
Car, R.4
-
72
-
-
0001723472
-
-
Sprik, M., Hutter, J. and Parrinello, M., J. Chem. Phys., 105, 1996, 1142.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 1142
-
-
Sprik, M.1
Hutter, J.2
Parrinello, M.3
-
73
-
-
4243553426
-
-
Becke, A., Phys. Rev., A38, 1988, 3098.
-
(1988)
Phys. Rev.
, vol.A38
, pp. 3098
-
-
Becke, A.1
-
74
-
-
23244460838
-
-
Perdew, J.P., Chevary, J.A., Vosko, S.H., Jackson, K.A., Pederson, M.R. and Singh, D.J., Phys. Rev., B46, 1992, 6671.
-
(1992)
Phys. Rev.
, vol.B46
, 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
-
75
-
-
0345491105
-
-
Lee, C., Yang, W. and Parr, R.G., Phys. Rev., B37, 1988, 785.
-
(1988)
Phys. Rev.
, vol.B37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
78
-
-
46149133757
-
-
Soper, A.K. and Philips, M.G., Chem. Phys., 107, 1986, 47.
-
(1986)
Chem. Phys.
, vol.107
, pp. 47
-
-
Soper, A.K.1
Philips, M.G.2
-
79
-
-
7244260263
-
-
Benoit, M., Bernasconi, M., Focher, P. and Parrinello, M., Phys. Rev. Lett., 76, 1996, 2934.
-
(1996)
Phys. Rev. Lett.
, vol.76
, pp. 2934
-
-
Benoit, M.1
Bernasconi, M.2
Focher, P.3
Parrinello, M.4
-
80
-
-
0028766439
-
-
Tuckerman, M., Laasonen, K., Sprik, M. and Parrinello, M., J. Phys. Cond. Matt., 6, 1994, A93.
-
(1994)
J. Phys. Cond. Matt.
, vol.6
-
-
Tuckerman, M.1
Laasonen, K.2
Sprik, M.3
Parrinello, M.4
-
81
-
-
0542436236
-
-
Tuckerman, M., Laasonen, K., Sprik, M. and Parrinello, M., J. Phys. Chem., 99, 1995, 5749.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 5749
-
-
Tuckerman, M.1
Laasonen, K.2
Sprik, M.3
Parrinello, M.4
-
82
-
-
0000135791
-
-
Tuckerman, M., Laasonen, K., Sprik, M. and Parrinello, M., J. Chem. Phys., 103, 1995, 150.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 150
-
-
Tuckerman, M.1
Laasonen, K.2
Sprik, M.3
Parrinello, M.4
-
83
-
-
0029845690
-
-
Hutter, J., Carloni, P. and Parrinello, M., J. Am. Chem. Soc., 118, 1996, 8710.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 8710
-
-
Hutter, J.1
Carloni, P.2
Parrinello, M.3
-
84
-
-
0003554309
-
-
Edited by K.-H. Kellwege and O. Madelung, Numerical Data and Functional Relationship in Science and Technology, Landolt-Börnstein, New Series, Group III, subvolume a. Springer-Verlag, Berlin
-
Physics of Group IV Elements and III-V Compounds (Edited by K.-H. Kellwege and O. Madelung), Numerical Data and Functional Relationship in Science and Technology, Landolt-Börnstein, New Series, Group III, Vol. 17, subvolume a. Springer-Verlag, Berlin, 1982.
-
(1982)
Physics of Group IV Elements and III-V Compounds
, vol.17
-
-
-
85
-
-
0003477976
-
-
Springer-Verlag, Berlin, Heidelberg
-
Barin, I. and Knacke, O., Thermodynamic Properties of Inorganic Substances. Springer-Verlag, Berlin, Heidelberg, 1973.
-
(1973)
Thermodynamic Properties of Inorganic Substances
-
-
Barin, I.1
Knacke, O.2
-
87
-
-
0001229205
-
-
Broughton, J.Q. and Li, X.P., Phys. Rev., B35, 1987, 9120.
-
(1987)
Phys. Rev.
, vol.B35
, pp. 9120
-
-
Broughton, J.Q.1
Li, X.P.2
-
88
-
-
0040992059
-
-
Gabathuler, J.P. and Steeb, S., Z. Naturforsch, 34A, 1979, 1314.
-
(1979)
Z. Naturforsch
, vol.34 A
, pp. 1314
-
-
Gabathuler, J.P.1
Steeb, S.2
-
89
-
-
4244148345
-
-
Troullier, N. and Martins, J.L., Phys. Rev., B46, 1992, 1754.
-
(1992)
Phys. Rev.
, vol.B46
, pp. 1754
-
-
Troullier, N.1
Martins, J.L.2
-
90
-
-
33645716728
-
-
Kim, K. and Jordan, K.D., J. Phys. Chem., 98, 1994, 10089.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 10089
-
-
Kim, K.1
Jordan, K.D.2
-
91
-
-
4444340929
-
-
Benedict, W.S., Gailer, N. and Plyler, E.K., J. Chem. Phys., 24, 1956, 1139.
-
(1956)
J. Chem. Phys.
, vol.24
, pp. 1139
-
-
Benedict, W.S.1
Gailer, N.2
Plyler, E.K.3
-
92
-
-
36849096816
-
-
Clough, S.A., Beers, Y., Klein, G.P. and Rothman, L.S., J. Chem. Phys., 59, 1973, 2254.
-
(1973)
J. Chem. Phys.
, vol.59
, pp. 2254
-
-
Clough, S.A.1
Beers, Y.2
Klein, G.P.3
Rothman, L.S.4
-
93
-
-
0000812244
-
-
Kuchitsu, K. and Morino, Y., Bull. Chem. Soc. Jpn., 38, 1965, 805.
-
(1965)
Bull. Chem. Soc. Jpn.
, vol.38
, pp. 805
-
-
Kuchitsu, K.1
Morino, Y.2
-
94
-
-
84873055189
-
-
Wiley, New York
-
Hehre, W.J., Radom, L., Schleyer, P.V.R. and Pople, J.A., Ab Initio Molecular Orbital Theory. Wiley, New York, 1986.
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.V.R.3
Pople, J.A.4
-
95
-
-
0000769510
-
-
Dyke, T.R., Mack, K.M. and Muentner, J.S., J. Chem. Phys., 66, 1977, 498.
-
(1977)
J. Chem. Phys.
, vol.66
, pp. 498
-
-
Dyke, T.R.1
Mack, K.M.2
Muentner, J.S.3
-
96
-
-
36749111449
-
-
Curtiss, L.A., Frurip, D.L. and Blander, M.J., J. Chem. Phys., 71, 1979, 2703.
-
(1979)
J. Chem. Phys.
, vol.71
, pp. 2703
-
-
Curtiss, L.A.1
Frurip, D.L.2
Blander, M.J.3
-
97
-
-
0000453494
-
-
Tursi, A.J. and Nixon, E.R., J. Chem. Phys., 52, 1970, 1521.
-
(1970)
J. Chem. Phys.
, vol.52
, pp. 1521
-
-
Tursi, A.J.1
Nixon, E.R.2
-
98
-
-
0005143102
-
-
Bentwood, R.M., Barnes, A.J. and Orville Thomas, W.J., J. Mol. Spectrosc., 84, 1980, 391.
-
(1980)
J. Mol. Spectrosc.
, vol.84
, pp. 391
-
-
Bentwood, R.M.1
Barnes, A.J.2
Orville Thomas, W.J.3
-
99
-
-
36749116946
-
-
Jonas, J., DeFries, T. and Wilber, D.J., J. Chem. Phys., 65, 1976, 582.
-
(1976)
J. Chem. Phys.
, vol.65
, pp. 582
-
-
Jonas, J.1
DeFries, T.2
Wilber, D.J.3
-
100
-
-
37049095962
-
-
Krynicki, K., Green, C.D. and Sawyer, D.W., Faraday Discussion Chem. Soc., 66, 1978, 199.
-
(1978)
Faraday Discussion Chem. Soc.
, vol.66
, pp. 199
-
-
Krynicki, K.1
Green, C.D.2
Sawyer, D.W.3
-
101
-
-
0042208652
-
-
To be published
-
Takeda, S., To be published.
-
-
-
Takeda, S.1
-
102
-
-
0039663739
-
-
Waseda, Y. and Suzuki, K., Z. Phys., B20, 1975, 339; Gabathuler, J.P. and Steeb, S., Z. Naturforsch. 34A, 1979, 1314.
-
(1975)
Z. Phys.
, vol.B20
, pp. 339
-
-
Waseda, Y.1
Suzuki, K.2
-
103
-
-
0040992059
-
-
Waseda, Y. and Suzuki, K., Z. Phys., B20, 1975, 339; Gabathuler, J.P. and Steeb, S., Z. Naturforsch. 34A, 1979, 1314.
-
(1979)
Z. Naturforsch.
, vol.34 A
, pp. 1314
-
-
Gabathuler, J.P.1
Steeb, S.2
|