Showing entries 21 - 34 out of 34


Paier J, Marsman M, Hummer K, Kresse G, Gerber IC, Angyan JG. Screened hybrid density functionals applied to solids. Journal of Chemical Physics. 2006 Apr 21;124(15):154709. doi: 10.1063/1.2187006

Heimel G, Hummer K, Ambrosch-Draxl C, Chunwachirasiri W, Winokur MJ, Hanfland M et al. Phase transition and electronic properties of fluorene: A joint experimental and theoretical high-pressure study. Physical Review B. 2006 Jan;73(2):024109. doi: 10.1103/PhysRevB.73.024109

Gajdos M, Hummer K, Furthmüller J, Bechstedt F. Linear optical properties in the projector-augmented wave methodology. Physical Review B. 2006;73(4):045112. doi: 10.1103/PhysRevB.73.045112


Hummer K, Ambrosch-Draxl C. Electronic properties of oligoacenes from first principles. Physical Review B. 2005 Nov;72(20):205205. doi: 10.1103/PhysRevB.72.205205

Hummer K, Ambrosch-Draxl C. Oligoacene exciton binding energies: Their dependence on molecular size. Physical Review B. 2005 Feb;71(8):081202. doi: 10.1103/PhysRevB.71.081202


Hummer K, Puschnig P, Ambrosch-Draxl C. Lowest Optical Excitations in Molecular Crystals: Bound Excitons versus Free Electron-Hole Pairs in Anthracene. Physical Review Letters. 2004 Apr 1;92(14):147402. doi: 10.1103/PhysRevLett.92.147402


Oehzelt M, Heimel G, Resel R, Puschnig P, Hummer K, Ambrosch-Draxl C et al. High pressure x-ray study on anthracene. Journal of Chemical Physics. 2003 Jul 8;119(2):1078-1084. doi: 10.1063/1.1578994

Puschnig P, Hummer K, Ambrosch-Draxl C, Heimel G, Oehzelt M, Resel R. Electronic, optical, and structural properties of oligophenylene molecular crystals under high pressure: An ab initio investigation. Physical Review B. 2003 Jun 15;67(23):235321. doi: 10.1103/PhysRevB.67.235321

Heimel G, Puschnig P, Oehzelt M, Hummer K, Koppelhuber-Bitschnau B, Porsch F et al. Chain-length-dependent intermolecular packing in polyphenylenes: a high pressure study. Journal of Physics: Condensed Matter. 2003 May 28;15(20):3375-3389. doi: 10.1088/0953-8984/15/20/302

Hummer K, Puschnig P, Ambrosch-Draxl C. Ab initio study of anthracene under high pressure. Physical Review B. 2003 May 1;67(18):184105. doi: 10.1103/PhysRevB.67.184105

Showing entries 21 - 34 out of 34