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Heyd, Jochen, Scuseria, Gustavo E., Ernzerhof, Matthias (2003) Hybrid functionals based on a screened Coulomb potential. The Journal of Chemical Physics, 118 (18). 8207-8215 doi:10.1063/1.1564060

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Reference TypeJournal (article/letter/editorial)
TitleHybrid functionals based on a screened Coulomb potential
JournalThe Journal of Chemical Physics
AuthorsHeyd, JochenAuthor
Scuseria, Gustavo E.Author
Ernzerhof, MatthiasAuthor
Year2003 (May 8)Volume118
Issue18
PublisherAIP Publishing
DOIdoi:10.1063/1.1564060Search in ResearchGate
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Mindat Ref. ID2276074Long-form Identifiermindat:1:5:2276074:6
GUID0
Full ReferenceHeyd, Jochen, Scuseria, Gustavo E., Ernzerhof, Matthias (2003) Hybrid functionals based on a screened Coulomb potential. The Journal of Chemical Physics, 118 (18). 8207-8215 doi:10.1063/1.1564060
Plain TextHeyd, Jochen, Scuseria, Gustavo E., Ernzerhof, Matthias (2003) Hybrid functionals based on a screened Coulomb potential. The Journal of Chemical Physics, 118 (18). 8207-8215 doi:10.1063/1.1564060
In(2003, May) The Journal of Chemical Physics Vol. 118 (18) AIP Publishing

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Heyd, Jochen, Scuseria, Gustavo E., Ernzerhof, Matthias (2006) Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]. The Journal of Chemical Physics, 124 (21). 219906pp. doi:10.1063/1.2204597
Heyd, Jochen, Scuseria, Gustavo E. (2004) Efficient hybrid density functional calculations in solids: Assessment of the Heyd–Scuseria–Ernzerhof screened Coulomb hybrid functional. The Journal of Chemical Physics, 121 (3). 1187-1192 doi:10.1063/1.1760074
Jaramillo, Juanita, Scuseria, Gustavo E., Ernzerhof, Matthias (2003) Local hybrid functionals. The Journal of Chemical Physics, 118 (3). 1068-1073 doi:10.1063/1.1528936
Heyd, Jochen, Peralta, Juan E., Scuseria, Gustavo E., Martin, Richard L. (2005) Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional. The Journal of Chemical Physics, 123 (17). 174101pp. doi:10.1063/1.2085170
NAKAI, Hiromi, HEYD, Jochen, SCUSERIA, Gustavo E. (2006) Periodic-Boundary-Condition Calculation using Heyd-Scuseria-Ernzerhof Screened Coulomb Hybrid Functional: Electronic Structure of Anatase and Rutile TiO2. Journal of Computer Chemistry, Japan, 5 (1). 7-18 doi:10.2477/jccj.5.7
Heyd, Jochen, Scuseria, Gustavo E. (2004) Assessment and validation of a screened Coulomb hybrid density functional. The Journal of Chemical Physics, 120 (16). 7274-7280 doi:10.1063/1.1668634
Peralta, Juan E., Heyd, Jochen, Scuseria, Gustavo E., Martin, Richard L. (2006) Spin-orbit splittings and energy band gaps calculated with the Heyd-Scuseria-Ernzerhof screened hybrid functional. Physical Review B, 74 (7) doi:10.1103/physrevb.74.073101
Maximoff, Sergey N., Ernzerhof, Matthias, Scuseria, Gustavo E. (2002) Functionals of the square kinetic energy density. The Journal of Chemical Physics, 117 (7). 3074-3080 doi:10.1063/1.1489996
Vydrov, Oleg A., Heyd, Jochen, Krukau, Aliaksandr V., Scuseria, Gustavo E. (2006) Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals. The Journal of Chemical Physics, 125 (7). 74106pp. doi:10.1063/1.2244560
Ernzerhof, Matthias, Scuseria, Gustavo E. (1999) Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional. The Journal of Chemical Physics, 110 (11). 5029-5036 doi:10.1063/1.478401
Ernzerhof, Matthias, Maximoff, Sergey N., Scuseria, Gustavo E. (2002) Functionals of quantities other than the electron density: Approximations to the exchange energy. The Journal of Chemical Physics, 116 (10). 3980-3984 doi:10.1063/1.1446022
 
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