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Ortega, José (1998) First-principles methods for tight-binding molecular dynamics. Computational Materials Science, 12 (3). 192-209 doi:10.1016/s0927-0256(98)00028-7

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Reference TypeJournal (article/letter/editorial)
TitleFirst-principles methods for tight-binding molecular dynamics
JournalComputational Materials Science
AuthorsOrtega, JoséAuthor
Year1998 (October)Volume12
Issue3
PublisherElsevier BV
DOIdoi:10.1016/s0927-0256(98)00028-7Search in ResearchGate
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Mindat Ref. ID9502923Long-form Identifiermindat:1:5:9502923:6
GUID0
Full ReferenceOrtega, José (1998) First-principles methods for tight-binding molecular dynamics. Computational Materials Science, 12 (3). 192-209 doi:10.1016/s0927-0256(98)00028-7
Plain TextOrtega, José (1998) First-principles methods for tight-binding molecular dynamics. Computational Materials Science, 12 (3). 192-209 doi:10.1016/s0927-0256(98)00028-7
In(1998, October) Computational Materials Science Vol. 12 (3) Elsevier BV

See Also

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Ordejón, Pablo (1998) Order-N tight-binding methods for electronic-structure and molecular dynamics. Computational Materials Science, 12 (3). 157-191 doi:10.1016/s0927-0256(98)00027-5
Galli, Giulia (1998) Tight-binding molecular dynamics for carbon systems: Fullerenes on surfaces. Computational Materials Science, 12 (3). 242-258 doi:10.1016/s0927-0256(98)00031-7
Colombo, Luciano (1998) A source code for tight-binding molecular dynamics simulations. Computational Materials Science, 12 (3). 278-287 doi:10.1016/s0927-0256(98)00032-9
Lewis, Laurent J., Mousseau, Normand (1998) Tight-binding molecular-dynamics studies of defects and disorder in covalently bonded materials. Computational Materials Science, 12 (3). 210-241 doi:10.1016/s0927-0256(98)00030-5
Wang, C.Z., Qiu, S.Y., Ho, K.M. (1997) O(N) tight-binding molecular dynamics study of amorphous carbon. Computational Materials Science, 7 (3). 315-323 doi:10.1016/s0927-0256(96)00043-2
Basanta, M.A., Dappe, Y.J., Jelínek, P., Ortega, J. (2007) Optimized atomic-like orbitals for first-principles tight-binding molecular dynamics. Computational Materials Science, 39 (4). 759-766 doi:10.1016/j.commatsci.2006.09.003
Doyama, Masao (1999) Dawn of molecular dynamics. Computational Materials Science, 14 (1). 1-3 doi:10.1016/s0927-0256(98)00062-7
Gavartin, Jacob L., Bacon, David J. (1998) Tight-binding molecular dynamics simulations of the vibration properties of α-titanium. Computational Materials Science, 10 (1). 75-79 doi:10.1016/s0927-0256(97)00186-9
Scheerschmidt, Kurt, Conrad, Detlef, Wang, YuChen (2001) Tight-binding-based empirical potentials: Molecular dynamics of wafer bonding. Computational Materials Science, 22 (1). 56-61 doi:10.1016/s0927-0256(01)00165-3
Iannuzzi, Marcella, Raiteri, Paolo, Miglio, Leo (2001) Self-diffusion of silicon in TiSi2 competing phases by tight-binding molecular dynamics. Computational Materials Science, 20 (3). 394-400 doi:10.1016/s0927-0256(00)00199-3
(1998) Editorial Board. Computational Materials Science, 10 (1). doi:10.1016/s0927-0256(98)90000-3
 
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