Publications

2006

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

Hummer K, Puschnig P, Sagmeister S, Ambrosch-Draxl C. Ab-initio study on the exciton binding energies in organic semiconductors. Modern Physics Letters B: condensed matter physics; statistical physics and applied physic. 2006 Mar 10;20(6):261-280. doi: 10.1142/S0217984906010603

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

2005

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

2004

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

Hummer K. Electronic and Optical Properties of Oligo-acences. University of Wollongong, 2004.

Hummer K, Puschnig P, Ambrosch-Draxl C. Excitonic effects in anthracene under high pressure from first principles. Physica Scripta: an international journal for experimental and theoretical physics. 2004;2004(T109):152-155. doi: 10.1238/Physica.Topical.109a00152

2003

Hummer K. On the Electro-optical Properties of Oligo-acenes: An Ab-initio Study. Shaker Verlag GmbH, 2003. 130 p.

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