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Tu, Yaoquan, Jacobsson, Sven P., Laaksonen, Aatto (2006) Efficientab initiotight-binding-like method for electronic structure calculations. Physical Review B, 74 (20) doi:10.1103/physrevb.74.205104

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Reference TypeJournal (article/letter/editorial)
TitleEfficientab initiotight-binding-like method for electronic structure calculations
JournalPhysical Review B
AuthorsTu, YaoquanAuthor
Jacobsson, Sven P.Author
Laaksonen, AattoAuthor
Year2006 (November 7)Volume74
Issue20
PublisherAmerican Physical Society (APS)
DOIdoi:10.1103/physrevb.74.205104Search in ResearchGate
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Mindat Ref. ID14186735Long-form Identifiermindat:1:5:14186735:1
GUID0
Full ReferenceTu, Yaoquan, Jacobsson, Sven P., Laaksonen, Aatto (2006) Efficientab initiotight-binding-like method for electronic structure calculations. Physical Review B, 74 (20) doi:10.1103/physrevb.74.205104
Plain TextTu, Yaoquan, Jacobsson, Sven P., Laaksonen, Aatto (2006) Efficientab initiotight-binding-like method for electronic structure calculations. Physical Review B, 74 (20) doi:10.1103/physrevb.74.205104
In(2006, November) Physical Review B Vol. 74 (20) American Physical Society (APS)

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TU, YAOQUAN, JACOBSSON, SVEN P., LAAKSONEN, AATTO (2003) Re-examination of the NDDO approximation and introduction of a new model beyond it. Molecular Physics, 101. 3009-3015 doi:10.1080/00268970310001619935
Horsfield, Andrew P. (1997) Efficientab initiotight binding. Physical Review B, 56 (11) 6594-6602 doi:10.1103/physrevb.56.6594
Tu, Yaoquan, Laaksonen, Aatto (2001) Atomic charges in molecular mechanical force fields: A theoretical insight. Physical Review E, 64 (2) doi:10.1103/physreve.64.026703
Ozaki, T., Terakura, K. (2001) Convergent recursiveO(N)method forab initiotight-binding calculations. Physical Review B, 64 (19) doi:10.1103/physrevb.64.195126
Wixom, R. R., Wright, A. F. (2006) Formation energies, binding energies, structure, and electronic transitions of Si divacancies studied by density functional calculations. Physical Review B, 74 (20) doi:10.1103/physrevb.74.205208
Tu, Yaoquan, Laaksonen, Aatto (2000) The electronic properties of water molecules in water clusters and liquid water. Chemical Physics Letters, 329. 283-288 doi:10.1016/s0009-2614(00)01026-5
Böhlin, Johan, Hansson, Anders, Stafström, Sven (2006) Electronic structure calculations of the phenalenyl-based neutral radical conductor bis(9-cyclohexylimino-1-phenalenyl) boron. Physical Review B, 74 (15) doi:10.1103/physrevb.74.155111
Tu, Yaoquan, Laaksonen, Aatto (2025) RADE: A reduced approach to density-functional expansion. The Journal of Chemical Physics, 162 (5). doi:10.1063/5.0241930
Ozaki, Taisuke (2006) O(N)Krylov-subspace method for large-scaleab initioelectronic structure calculations. Physical Review B, 74 (24) doi:10.1103/physrevb.74.245101
Junkermeier, Chad E., Lewis, James P., Bryant, Garnett W. (2008) Ab initiotight-binding analysis of CdS nanocrystals. Physical Review B, 77 (20) doi:10.1103/physrevb.77.205125
Kasinathan, Deepa, Singh, D. J. (2006) Electronic structure of Cr-dopedSrRuO3: Supercell calculations. Physical Review B, 74 (19) doi:10.1103/physrevb.74.195106
 
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