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Mo, Yuxiang, Tian, Guocai, Tao, Jianmin (2017) Comparative study of semilocal density functionals on solids and surfaces. Chemical Physics Letters, 682. 38-42 doi:10.1016/j.cplett.2017.05.057

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Reference TypeJournal (article/letter/editorial)
TitleComparative study of semilocal density functionals on solids and surfaces
JournalChemical Physics Letters
AuthorsMo, YuxiangAuthor
Tian, GuocaiAuthor
Tao, JianminAuthor
Year2017 (August)Volume682
PublisherElsevier BV
DOIdoi:10.1016/j.cplett.2017.05.057Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID5942012Long-form Identifiermindat:1:5:5942012:7
GUID0
Full ReferenceMo, Yuxiang, Tian, Guocai, Tao, Jianmin (2017) Comparative study of semilocal density functionals on solids and surfaces. Chemical Physics Letters, 682. 38-42 doi:10.1016/j.cplett.2017.05.057
Plain TextMo, Yuxiang, Tian, Guocai, Tao, Jianmin (2017) Comparative study of semilocal density functionals on solids and surfaces. Chemical Physics Letters, 682. 38-42 doi:10.1016/j.cplett.2017.05.057
In(n.d.) Chemical Physics Letters Vol. 682. Elsevier BV

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Tian, Guocai, Mo, Yuxiang, Tao, Jianmin (2017) Accurate excitation energies of molecules and oligomers from a semilocal density functional. The Journal of Chemical Physics, 146 (23). 234102pp. doi:10.1063/1.4984062
Mo, Yuxiang, Tian, Guocai, Tao, Jianmin (2017) Performance of a nonempirical exchange functional from density matrix expansion: comparative study with different correlations. Physical Chemistry Chemical Physics, 19 (32). 21707-21713 doi:10.1039/c6cp08761b
Mo, Yuxiang, Car, Roberto, Staroverov, Viktor N., Scuseria, Gustavo E., Tao, Jianmin (2017) Assessment of the Tao-Mo nonempirical semilocal density functional in applications to solids and surfaces. Physical Review B, 95 (3) doi:10.1103/physrevb.95.035118
Tao, Jianmin, Mo, Yuxiang (2016) Accurate Semilocal Density Functional for Condensed-Matter Physics and Quantum Chemistry. Physical Review Letters, 117 (7). doi:10.1103/physrevlett.117.073001
Mo, Yuxiang, Tian, Guocai, Car, Roberto, Staroverov, Viktor N., Scuseria, Gustavo E., Tao, Jianmin (2016) Performance of a nonempirical density functional on molecules and hydrogen-bonded complexes. The Journal of Chemical Physics, 145 (23). 234306pp. doi:10.1063/1.4971853
Tao, Jianmin, Mo, Yuxiang, Tian, Guocai, Ruzsinszky, Adrienn (2016) Accurate van der Waals coefficients between fullerenes and fullerene-alkali atoms and clusters: Modified single-frequency approximation. Physical Review B, 94 (8) doi:10.1103/physrevb.94.085126
Tao, Jianmin, Bulik, Ireneusz W., Scuseria, Gustavo E. (2017) Semilocal exchange hole with an application to range-separated density functionals. Physical Review B, 95 (12) doi:10.1103/physrevb.95.125115
Hamada, Ikutaro, Meng, Sheng (2012) Water wetting on representative metal surfaces: Improved description from van der Waals density functionals. Chemical Physics Letters, 521. 161-166 doi:10.1016/j.cplett.2011.11.070
Flores-Gallegos, N. (2017) Generalized Shannon’s entropy as generator of local density functionals. Chemical Physics Letters, 676. 1-5 doi:10.1016/j.cplett.2017.03.037
Staroverov, Viktor N., Scuseria, Gustavo E., Tao, Jianmin, Perdew, John P. (2004) Tests of a ladder of density functionals for bulk solids and surfaces. Physical Review B, 69 (7) doi:10.1103/physrevb.69.075102
Bednarska, Joanna, Roztoczyńska, Agnieszka, Bartkowiak, Wojciech, Zaleśny, Robert (2013) Comparative assessment of density functionals for excited-state dipole moments. Chemical Physics Letters, 584. 58-62 doi:10.1016/j.cplett.2013.08.079
 
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