J. Heyd

发表

Hybrid functionals based on a screened Coulomb potential

G. Scuseria, M. Ernzerhof, J. Heyd, 2003 .

Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals.

G. Scuseria, J. Heyd, Oleg A. Vydrov, 2006, The Journal of chemical physics.

Limulus polyphemus hemocyanin: 10 A cryo-EM structure, sequence analysis, molecular modelling and rigid-body fitting reveal the interfaces between the eight hexamers.

Andreas Martin, W. Wriggers, J. Markl, 2007, Journal of molecular biology.

Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional.

Richard L. Martin, Juan E Peralta, Gustavo E Scuseria, 2005, The Journal of chemical physics.

Spin-orbit splittings and energy band gaps calculated with the Heyd-Scuseria-Ernzerhof screened hybrid functional

Richard L. Martin, Gustavo E. Scuseria, Juan E. Peralta, 2006 .

Supplementary Information

G. A. Petersson, P. Kollman, G. Scuseria, 2021 .

Efficient hybrid density functional calculations in solids: assessment of the Heyd-Scuseria-Ernzerhof screened Coulomb hybrid functional.

Gustavo E Scuseria, Jochen Heyd, G. Scuseria, 2004, The Journal of chemical physics.

Assessment and validation of a screened Coulomb hybrid density functional.

Gustavo E Scuseria, Jochen Heyd, G. Scuseria, 2004, The Journal of chemical physics.

Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]

Gustavo E. Scuseria, Jochen Heyd, G. Scuseria, 2006 .

Interaction of atomic hydrogen with single-walled carbon nanotubes: a density functional theory study.

G. Scuseria, J. Heyd, V. Barone, 2004, The Journal of chemical physics.

Exceptionally low charge trapping enables highly efficient organic bulk heterojunction solar cells

J. V. Ortiz, G. A. Petersson, K., 2020 .

Screened Coulomb Hybrid Density Functionals

J. Heyd, 2004 .

Density functional theory study of optical transitions in semiconducting single-walled carbon nanotubes.

Juan E Peralta, Michael Wert, Gustavo E Scuseria, 2005, Nano letters.

Effect of oxygen chemisorption on the energy band gap of a chiral semiconducting single-walled carbon nanotube

G. Scuseria, J. Heyd, V. Barone, 2004 .

Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects

G. Scuseria, C. Umrigar, R. Hennig, 2006 .