Jochen Heyd, Ph.D.
Institution:
Rice University, Houston, TXArea:
Quantum ChemistryGoogle:
"Jochen Heyd"Mean distance: 10.07 | S | N | B | C | P |
Parents
Sign in to add mentor| Gustavo E. Scuseria | grad student | 2004 | Rice University | |
| (Screened Coulomb hybrid density functionals.) | ||||
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Publications
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| Vydrov OA, Heyd J, Krukau AV, et al. (2006) Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals. The Journal of Chemical Physics. 125: 074106 |
| Batista ER, Heyd J, Hennig RG, et al. (2006) Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects Physical Review B - Condensed Matter and Materials Physics. 74 |
| Peralta JE, Heyd J, Scuseria GE, et al. (2006) Spin-orbit splittings and energy band gaps calculated with the Heyd-Scuseria-Ernzerhof screened hybrid functional Physical Review B - Condensed Matter and Materials Physics. 74 |
| Heyd J, Scuseria GE, Ernzerhof M. (2006) Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)] The Journal of Chemical Physics. 124: 219906 |
| Heyd J, Peralta JE, Scuseria GE, et al. (2005) Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional. The Journal of Chemical Physics. 123: 174101 |
| Barone V, Peralta JE, Wert M, et al. (2005) Density functional theory study of optical transitions in semiconducting single-walled carbon nanotubes. Nano Letters. 5: 1621-4 |
| Heyd J, Scuseria GE. (2004) Assessment and validation of a screened Coulomb hybrid density functional. The Journal of Chemical Physics. 120: 7274-80 |
| Barone V, Heyd J, Scuseria GE. (2004) Interaction of atomic hydrogen with single-walled carbon nanotubes: a density functional theory study. The Journal of Chemical Physics. 120: 7169-73 |
| Heyd J, Scuseria GE. (2004) Efficient hybrid density functional calculations in solids: assessment of the Heyd-Scuseria-Ernzerhof screened Coulomb hybrid functional. The Journal of Chemical Physics. 121: 1187-92 |
| Barone V, Heyd J, Scuseria GE. (2004) Effect of oxygen chemisorption on the energy band gap of a chiral semiconducting single-walled carbon nanotube Chemical Physics Letters. 389: 289-292 |