2007 |
9 | EE | Matthias Ruckenbauer,
Ivona Brandic,
Siegfried Benkner,
Wilfried N. Gansterer,
Osvaldo Gervasi,
Mario Barbatti,
Hans Lischka:
Nonadiabatic Ab Initio Surface-Hopping Dynamics Calculation in a Grid Environment - First Experiences.
ICCSA (1) 2007: 281-294 |
8 | EE | Rungtiwa Chidthong,
Supa Hannongbua,
Adélia J. A. Aquino,
Peter Wolschann,
Hans Lischka:
Excited state properties, fluorescence energies, and lifetime of a poly(fluorene-pyridine) copolymer, based on TD-DFT investigation.
Journal of Computational Chemistry 28(10): 1735-1742 (2007) |
2005 |
7 | EE | Hans Lischka,
Adélia J. A. Aquino,
Mario Barbatti,
Mohammad Solimannejad:
High-Level Quantum Chemical Methods for the Study of Photochemical Processes.
ICCSA (1) 2005: 1004-1011 |
6 | EE | Wilfried N. Gansterer,
Wolfgang Kreuzer,
Hans Lischka:
Data Reduction Schemes in Davidson Subspace Diagonalization for MR-CI.
LSSC 2005: 564-571 |
2003 |
5 | EE | Adélia J. A. Aquino,
Daniel Tunega,
Georg Haberhauer,
Martin H. Gerzabek,
Hans Lischka:
Adsorption of organic substances on broken clay surfaces: A quantum chemical study.
Journal of Computational Chemistry 24(15): 1853-1863 (2003) |
2002 |
4 | EE | Ron L. Shepard,
Isaiah Shavitt,
Hans Lischka:
Reducing I/O costs for the eigenvalue procedure in large-scale configuration interaction calculations.
Journal of Computational Chemistry 23(11): 1121-1125 (2002) |
3 | EE | Michal Dallos,
Hans Lischka,
Elizete Ventura Do Monte,
Michael Hirsch,
Wolfgang Quapp:
Determination of energy minima and saddle points using multireference configuration interaction methods in combination with reduced gradient following: The S0 surface of H2CO and the T1 and T2 surfaces of acetylene.
Journal of Computational Chemistry 23(5): 576-583 (2002) |
1997 |
2 | EE | Holger Dachsel,
Hans Lischka,
Ron L. Shepard,
Jarek Nieplocha,
Robert J. Harrison:
A massively parallel multireference configuration interaction program: The parallel COLUMBUS program.
Journal of Computational Chemistry 18(3): 430-448 (1997) |
1994 |
1 | | Hans Lischka,
Holger Dachsel,
Ron L. Shepard,
Robert J. Harrison:
Parallel Computing in Quantum Chemistry - Message Passing and Beyond for a General Ab Initio Program System.
HPCN 1994: 203-209 |