Hans Lischka
Hans Lischka
Professor of Chemistry, Texas Tech University
Verified email at ttu.edu - Homepage
TitleCited byYear
A global reference for human genetic variation
1000 Genomes Project Consortium
Nature 526 (7571), 68, 2015
43392015
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ...
Journal of computational chemistry 37 (5), 506-541, 2016
6862016
New implementation of the graphical unitary group approach for multireference direct configuration interaction calculations
H Lischka, R Shepard, FB Brown, I Shavitt
International Journal of Quantum Chemistry 20 (S15), 91-100, 1981
5551981
FB Brown und J.-G. Zhao
R Shepard, I Shavitt, RM Pitzer, DC Comeau, M Pepper, H Lischka, ...
Int. J. Quantum Chem. Symp 22, 149, 1988
4101988
Multiconfiguration self-consistent field and multireference configuration interaction methods and applications
PG Szalay, T Muller, G Gidofalvi, H Lischka, R Shepard
Chemical reviews 112 (1), 108-181, 2011
4012011
High-level multireference methods in the quantum-chemistry program system COLUMBUS: Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin–orbit …
H Lischka, R Shepard, RM Pitzer, I Shavitt, M Dallos, T Müller, PG Szalay, ...
Physical Chemistry Chemical Physics 3 (5), 664-673, 2001
3862001
The on-the-fly surface-hopping program system Newton-X: Application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems
M Barbatti, G Granucci, M Persico, M Ruckenbauer, M Vazdar, ...
Journal of Photochemistry and Photobiology A: Chemistry 190 (2-3), 228-240, 2007
3582007
Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases
M Barbatti, AJA Aquino, JJ Szymczak, D Nachtigallová, P Hobza, ...
Proceedings of the National Academy of Sciences 107 (50), 21453-21458, 2010
2912010
and CEPA-PNO (Coupled Electron Pair Approximation with Pair Natural Orbitals) Calculations of Molecular Systems. I. Outline of the Method for Closed Shell States
R Ahlrichs, H Lischka, V Staemmler, WK PNO-CI
J. Chem. Phys 62, 1225, 1975
2821975
Conical intersections: theory, computation and experiment
W Domcke, DR Yarkony, H Köppel
World Scientific, 2011
2742011
Analytic evaluation of nonadiabatic coupling terms at the MR-CI level. I. Formalism
H Lischka, M Dallos, PG Szalay, DR Yarkony, R Shepard
The Journal of chemical physics 120 (16), 7322-7329, 2004
2722004
and CEPA-PNO (Coupled Electron Pair Approximation with Pair Natural Orbitals) Calculations of Molecular Systems. III. The Molecules MgH2, AlH3, SiH4, PH3 (Planar and Pyramidal …
R Ahlrichs, F Keil, H Lischka, W Kutzelnigg, VS PNO-CI
J. Chem. Phys 63, 455, 1975
2551975
A general multireference configuration interaction gradient program
R Shepard, H Lischka, PG Szalay, T Kovar, M Ernzerhof
The Journal of chemical physics 96 (3), 2085-2098, 1992
2091992
Analytic evaluation of nonadiabatic coupling terms at the MR-CI level. II. Minima on the crossing seam: Formaldehyde and the photodimerization of ethylene
M Dallos, H Lischka, R Shepard, DR Yarkony, PG Szalay
The Journal of chemical physics 120 (16), 7330-7339, 2004
2042004
Analysis of excitonic and charge transfer interactions from quantum chemical calculations
F Plasser, H Lischka
Journal of chemical theory and computation 8 (8), 2777-2789, 2012
2002012
Analytic MRCI gradient for excited states: formalism and application to the n-π∗ valence-and n-(3s, 3p) Rydberg states of formaldehyde
H Lischka, M Dallos, R Shepard
Molecular Physics 100 (11), 1647-1658, 2002
1972002
Newton‐X: a surface‐hopping program for nonadiabatic molecular dynamics
M Barbatti, M Ruckenbauer, F Plasser, J Pittner, G Granucci, M Persico, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (1), 26-33, 2014
1852014
Nonadiabatic Deactivation of 9 H-Adenine: A Comprehensive Picture Based on Mixed Quantum− Classical Dynamics
M Barbatti, H Lischka
Journal of the American Chemical Society 130 (21), 6831-6839, 2008
1852008
Excited-state intramolecular proton transfer: a survey of TDDFT and RI-CC2 excited-state potential energy surfaces
AJA Aquino, H Lischka, C Hättig
The Journal of Physical Chemistry A 109 (14), 3201-3208, 2005
1782005
The UV absorption of nucleobases: semi-classical ab initio spectra simulations
M Barbatti, AJA Aquino, H Lischka
Physical Chemistry Chemical Physics 12 (19), 4959-4967, 2010
1642010
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