登录注册
Quick Links : Mindat手册The Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
主页关于 MindatMindat手册Mindat的历史版权Who We Are联系我们于 Mindat.org刊登广告
捐赠给 MindatCorporate Sponsorship赞助板页已赞助的板页在 Mindat刊登 广告的广告商于 Mindat.org刊登广告
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
搜索矿物的性质搜索矿物的化学Mineral Visual ExplorerAdvanced Locality Search随意显示任何一 种矿物Random Locality使用minID搜索邻近产地Search Articles搜索词汇表更多搜索选项
搜索:
矿物名称:
地区产地名称:
关键字:
 
Mindat手册添加新照片Rate Photos产区编辑报告Coordinate Completion Report添加词汇表项目
Mining Companies统计会员列表Mineral MuseumsClubs & Organizations矿物展及活动The Mindat目录表设备设置The Mineral QuizTime Machine
照片搜索Photo GalleriesSearch by ColorPhoto Colour Explorer今天最新的照片昨天最新的照片用户照片相集过去每日精选照片相集Photography

Peverati, Roberto, Truhlar, Donald G. (2012) Performance of the M11-L density functional for bandgaps and lattice constants of unary and binary semiconductors. The Journal of Chemical Physics, 136 (13). 134704pp. doi:10.1063/1.3698285

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitlePerformance of the M11-L density functional for bandgaps and lattice constants of unary and binary semiconductors
JournalThe Journal of Chemical Physics
AuthorsPeverati, RobertoAuthor
Truhlar, Donald G.Author
Year2012 (April 7)Volume136
Issue13
PublisherAIP Publishing
DOIdoi:10.1063/1.3698285Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2350481Long-form Identifiermindat:1:5:2350481:9
GUID0
Full ReferencePeverati, Roberto, Truhlar, Donald G. (2012) Performance of the M11-L density functional for bandgaps and lattice constants of unary and binary semiconductors. The Journal of Chemical Physics, 136 (13). 134704pp. doi:10.1063/1.3698285
Plain TextPeverati, Roberto, Truhlar, Donald G. (2012) Performance of the M11-L density functional for bandgaps and lattice constants of unary and binary semiconductors. The Journal of Chemical Physics, 136 (13). 134704pp. doi:10.1063/1.3698285
In(2012, April) The Journal of Chemical Physics Vol. 136 (13) AIP Publishing

See Also

These are possibly similar items as determined by title/reference text matching only.

Peverati, Roberto, Truhlar, Donald G. (2012) Performance of the M11 and M11-L density functionals for calculations of electronic excitation energies by adiabatic time-dependent density functional theory. Physical Chemistry Chemical Physics, 14 (32). 11363pp. doi:10.1039/c2cp41295k
Peverati, Roberto, Truhlar, Donald G. (2012) M11-L: A Local Density Functional That Provides Improved Accuracy for Electronic Structure Calculations in Chemistry and Physics. The Journal of Physical Chemistry Letters, 3 (1). 117-124 doi:10.1021/jz201525m
Isegawa, Miho, Peverati, Roberto, Truhlar, Donald G. (2012) Performance of recent and high-performance approximate density functionals for time-dependent density functional theory calculations of valence and Rydberg electronic transition energies. The Journal of Chemical Physics, 137 (24). 244104pp. doi:10.1063/1.4769078
Isegawa, Miho, Peverati, Roberto, Truhlar, Donald G. (2014) Erratum: “Performance of recent and high-performance approximate density functionals for time-dependent density functional theory calculations of valence and Rydberg electronic transition energies” [J. Chem. Phys. 137, 244104 (2012)]. The Journal of Chemical Physics, 140 (12). 129901pp. doi:10.1063/1.4869516
Peverati, Roberto, Truhlar, Donald G. (2012) An improved and broadly accurate local approximation to the exchange–correlation density functional: The MN12-L functional for electronic structure calculations in chemistry and physics. Physical Chemistry Chemical Physics, 14 (38). 13171pp. doi:10.1039/c2cp42025b
Peverati, Roberto, Truhlar, Donald G. (2012) Screened-exchange density functionals with broad accuracy for chemistry and solid-state physics. Physical Chemistry Chemical Physics, 14 (47). 16187pp. doi:10.1039/c2cp42576a
Peverati, Roberto, Truhlar, Donald G. (2011) Communication: A global hybrid generalized gradient approximation to the exchange-correlation functional that satisfies the second-order density-gradient constraint and has broad applicability in chemistry. The Journal of Chemical Physics, 135 (19). 191102pp. doi:10.1063/1.3663871
Yang, Ke, Peverati, Roberto, Truhlar, Donald G., Valero, Rosendo (2011) Density functional study of multiplicity-changing valence and Rydberg excitations of p-block elements: Delta self-consistent field, collinear spin-flip time-dependent density functional theory (DFT), and conventional time-dependent DFT. The Journal of Chemical Physics, 135 (4). 44118pp. doi:10.1063/1.3607312
Li, Ruifang, Peverati, Roberto, Isegawa, Miho, Truhlar, Donald G. (2013) Assessment and Validation of Density Functional Approximations for Iron Carbide and Iron Carbide Cation. The Journal of Physical Chemistry A, 117 (1). 169-173 doi:10.1021/jp3079106
Peverati, Roberto, Truhlar, Donald G. (2014) Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 372 (2011) 20120476 doi:10.1098/rsta.2012.0476
Peverati, Roberto, Zhao, Yan, Truhlar, Donald G. (2011) Generalized Gradient Approximation That Recovers the Second-Order Density-Gradient Expansion with Optimized Across-the-Board Performance. The Journal of Physical Chemistry Letters, 2 (16). 1991-1997 doi:10.1021/jz200616w
 
and/or  
版权所有© mindat.org1993年至2026年，除了规定的地方。 Mindat.org全赖于全球数千个以上成员和支持者们的参与。
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
隐私政策 - 条款和条款细则 - 联络我们 - Report a bug/vulnerability Current server date and time: 2026.6.5 20:27:28
Go to top of page