Atomic physics, Excited state, Ab initio, Multireference configuration interaction and Computational chemistry are his primary areas of study. His Atomic physics research incorporates elements of Saddle point, Excitation, Stationary point and Atomic orbital. The various areas that he examines in his Excited state study include Molecular physics, Coupled cluster, Density functional theory and Ground state.
His Density functional theory study combines topics from a wide range of disciplines, such as Charge and Surface hopping. His studies deal with areas such as Electronic correlation, Ab initio quantum chemistry methods, Aromaticity, Spectral line and Thymine as well as Ab initio. Hans Lischka combines subjects such as Statistical physics, Wave function and Vibronic coupling with his study of Multireference configuration interaction.
Hans Lischka mainly investigates Excited state, Atomic physics, Computational chemistry, Ab initio and Density functional theory. His Excited state study combines topics in areas such as Chemical physics, Molecular physics, Excitation and Ground state. His research on Atomic physics often connects related topics like Coupled cluster.
In his research, Inorganic chemistry and Molecular dynamics is intimately related to Molecule, which falls under the overarching field of Computational chemistry. The Ab initio study combines topics in areas such as Electronic correlation and Ab initio quantum chemistry methods. His research investigates the connection between Density functional theory and topics such as Graphene that intersect with problems in Carbon.
His primary areas of study are Excited state, Chemical physics, Density functional theory, Graphene and Electronic structure. His Excited state study integrates concerns from other disciplines, such as Crystallography, Acceptor, Pigment and Ground state. The concepts of his Ground state study are interwoven with issues in Statistical physics, Basis set, Fluorescence and Quantum chemical.
His Chemical physics research includes elements of Doping, Characterization, Reactivity, Molecule and Singlet state. He studies Multireference configuration interaction, a branch of Density functional theory. His work in Electronic structure addresses subjects such as Exciton, which are connected to disciplines such as Molecular physics, Photoexcitation, Singlet fission, Tetracene and Intermolecular force.
Hans Lischka spends much of his time researching Excited state, Singlet state, Electronic structure, Chemical physics and Molecular physics. His Excited state study incorporates themes from Carbon, Molecule, Graphene and Pyrene. His Molecule research is multidisciplinary, incorporating perspectives in Statistical physics and Photoexcitation.
His Singlet state research is multidisciplinary, incorporating elements of Unpaired electron, Computational chemistry and Character. His studies in Molecular physics integrate themes in fields like Valence and Dimer. He usually deals with Coronene and limits it to topics linked to Density functional theory and Configuration interaction.
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Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.
Francesco Aquilante;Jochen Autschbach;Rebecca K. Carlson;Liviu F. Chibotaru.
Journal of Computational Chemistry (2016)
Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications
Péter G. Szalay;Thomas Müller;Gergely Gidofalvi;Hans Lischka.
Chemical Reviews (2012)
New implementation of the graphical unitary group approach for multireference direct configuration interaction calculations
Hans Lischka;Hans Lischka;Ron Shepard;Franklin B. Brown;Isaiah Shavitt.
International Journal of Quantum Chemistry (2009)
The on-the-fly surface-hopping program system Newton-X: Application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems
Mario Barbatti;Giovanni Granucci;Maurizio Persico;Matthias Ruckenbauer.
Journal of Photochemistry and Photobiology A-chemistry (2007)
A progress report on the status of the COLUMBUS MRCI program system
Ron Shepard;Isaiah Shavitt;Russell M. Pitzer;Donald C. Comeau.
International Journal of Quantum Chemistry (1988)
Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases
Mario Cesar Barbatti;Mario Cesar Barbatti;Adelia J. A. Aquino;Jaroslaw Szymczak;Dana Nachtigallova.
Proceedings of the National Academy of Sciences of the United States of America (2010)
Newton-X: a surface-hopping program for nonadiabatic molecular dynamics
Mario Barbatti;Matthias Ruckenbauer;Felix Plasser;Jiri Pittner.
Wiley Interdisciplinary Reviews: Computational Molecular Science (2014)
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 CI and parallel CI density
Hans Lischka;Ron Shepard;Russell M. Pitzer;Isaiah Shavitt;Isaiah Shavitt.
Physical Chemistry Chemical Physics (2001)
Analysis of Excitonic and Charge Transfer Interactions from Quantum Chemical Calculations.
Felix Plasser;Hans Lischka;Hans Lischka.
Journal of Chemical Theory and Computation (2012)
Analytic evaluation of nonadiabatic coupling terms at the MR-CI level. I. Formalism.
Hans Lischka;Michal Dallos;Péter G. Szalay;David R. Yarkony.
Journal of Chemical Physics (2004)
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