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Morgan, Dane, de Fontaine, Didier, Asta, Mark (1997) Toward a total energy tight-binding Hamiltonian based on the linear-muffin-tin-orbital method. Computational Materials Science, 8 (1). 122-130 doi:10.1016/s0927-0256(97)00024-4

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Reference TypeJournal (article/letter/editorial)
TitleToward a total energy tight-binding Hamiltonian based on the linear-muffin-tin-orbital method
JournalComputational Materials Science
AuthorsMorgan, DaneAuthor
de Fontaine, DidierAuthor
Asta, MarkAuthor
Year1997 (May)Volume8
Issue1
PublisherElsevier BV
DOIdoi:10.1016/s0927-0256(97)00024-4Search in ResearchGate
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Mindat Ref. ID9502688Long-form Identifiermindat:1:5:9502688:6
GUID0
Full ReferenceMorgan, Dane, de Fontaine, Didier, Asta, Mark (1997) Toward a total energy tight-binding Hamiltonian based on the linear-muffin-tin-orbital method. Computational Materials Science, 8 (1). 122-130 doi:10.1016/s0927-0256(97)00024-4
Plain TextMorgan, Dane, de Fontaine, Didier, Asta, Mark (1997) Toward a total energy tight-binding Hamiltonian based on the linear-muffin-tin-orbital method. Computational Materials Science, 8 (1). 122-130 doi:10.1016/s0927-0256(97)00024-4
In(1997, May) Computational Materials Science Vol. 8 (1) Elsevier BV

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de Fontaine, Didier, Dreyssé, Hugues (1997) Preface. Computational Materials Science, 8 (1). doi:10.1016/s0927-0256(97)82570-0
Althoff, J.D., Morgan, Dane, de Fontaine, D., Asta, M.D., Foiles, S.M., Johnson, D.D. (1998) Embedded atom method calculations of vibrational thermodynamic properties of ordered and disordered Ni3Al. Computational Materials Science, 10 (1). 411-415 doi:10.1016/s0927-0256(97)00110-9
Asta, Mark, Johnson, D.D. (1997) Thermodynamic properties of FCC-based Al-Ag alloys. Computational Materials Science, 8 (1). 64-70 doi:10.1016/s0927-0256(97)00017-7
Hardouin Duparc, O.B.M., Torrent, M. (1998) Total-energy tight-binding modelisations of silicon. Computational Materials Science, 10 (1). 388-391 doi:10.1016/s0927-0256(97)00107-9
Johnson, D.D., Asta, Mark (1997) Energetics of homogeneously-random fcc Al-Ag alloys: A detailed comparison of computational methods. Computational Materials Science, 8 (1). 54-63 doi:10.1016/s0927-0256(97)00016-5
Tokar, V.I. (1997) A new cluster method in lattice statistics. Computational Materials Science, 8 (1). 8-15 doi:10.1016/s0927-0256(97)00010-4
Miao, M.S., Van Doren, V.E., Van Camp, P.E., Straub, G. (1998) LDA and tight-binding: Total energy calculations of polyparaphenylene. Computational Materials Science, 10 (1). 362-367 doi:10.1016/s0927-0256(97)00188-2
Djajaputra, David, Cooper, Bernard R. (2003) Tight-binding parameters from the full-potential linear muffin-tin orbital method: A feasibility study on NiAl. physica status solidi (b), 236 (1). 97-111 doi:10.1002/pssb.200301649
Althoff, Jeffrey D., Morgan, Dane, de Fontaine, Didier, Asta, Mark, Foiles, S. M., Johnson, D. D. (1997) Vibrational spectra in ordered and disorderedNi3Al. Physical Review B, 56 (10) doi:10.1103/physrevb.56.r5705
(1997) Editorial Board. Computational Materials Science, 8 (1). doi:10.1016/s0927-0256(97)90002-1
(1997) Editorial Board. Computational Materials Science, 9 (1). doi:10.1016/s0927-0256(97)90000-8
 
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