Atomic physics, Excited state, Surface hopping, Density functional theory and Ground state are his primary areas of study. His Atomic physics research incorporates elements of Quinoline, Cytosine, Ultrafast laser spectroscopy, Ab initio and Quantum. His Ab initio research is multidisciplinary, incorporating perspectives in Spectral line, Thymine and Ab initio quantum chemistry methods.
His Excited state research is multidisciplinary, relying on both Molecular physics and Photochemistry. His studies deal with areas such as Statistical physics and Electron transfer as well as Surface hopping. His Ground state research integrates issues from Relaxation and Coupled cluster.
Mario Barbatti mainly focuses on Excited state, Atomic physics, Photochemistry, Surface hopping and Ground state. The concepts of his Excited state study are interwoven with issues in Chemical physics, Molecular physics, Molecule and Density functional theory. His work carried out in the field of Atomic physics brings together such families of science as Spectral line, Ab initio, Excitation and Rydberg formula.
Mario Barbatti combines subjects such as Protonation, Singlet state, Dissociation and Tautomer with his study of Photochemistry. When carried out as part of a general Ground state research project, his work on Conical intersection and Internal conversion is frequently linked to work in Population, therefore connecting diverse disciplines of study. His work in Conical intersection addresses subjects such as Cytosine, which are connected to disciplines such as Pyrimidine.
His primary areas of investigation include Excited state, Photochemistry, Ground state, Surface hopping and Density functional theory. The various areas that Mario Barbatti examines in his Excited state study include Chemical physics, Electronic structure, Ionization, Statistical physics and Adiabatic process. His study in Photochemistry is interdisciplinary in nature, drawing from both Fluorescence, Molecule, Conical intersection, Substituent and Intramolecular force.
His Ground state study integrates concerns from other disciplines, such as Molecular physics and Excitation. His Density functional theory study combines topics in areas such as Spectral line and Atomic physics. His Atomic physics study frequently links to adjacent areas such as Delocalized electron.
His main research concerns Excited state, Density functional theory, Surface hopping, Atomic physics and Semiclassical physics. His Excited state study incorporates themes from Statistical physics, Observable, Ground state, Adiabatic process and Hamiltonian. His research investigates the connection with Ground state and areas like Ionization which intersect with concerns in Molecular physics.
The Time-dependent density functional theory research Mario Barbatti does as part of his general Density functional theory study is frequently linked to other disciplines of science, such as Coupling, therefore creating a link between diverse domains of science. Mario Barbatti interconnects Electronic density, Delocalized electron, Relaxation, Field and Excitation in the investigation of issues within Surface hopping. His work deals with themes such as Chemical physics, Radiative transfer and Electron, which intersect with Atomic physics.
This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.
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)
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)
Nonadiabatic dynamics with trajectory surface hopping method
Wiley Interdisciplinary Reviews: Computational Molecular Science (2011)
The UV absorption of nucleobases: semi-classical ab initio spectra simulations
Mario Barbatti;Adelia J. A. Aquino;Adelia J. A. Aquino;Hans Lischka;Hans Lischka.
Physical Chemistry Chemical Physics (2010)
Multireference Approaches for Excited States of Molecules.
Hans Lischka;Hans Lischka;Hans Lischka;Dana Nachtigallová;Adélia J.A. Aquino;Adélia J.A. Aquino;Adélia J.A. Aquino;Péter G. Szalay.
Chemical Reviews (2018)
Nonadiabatic Deactivation of 9H-Adenine: A Comprehensive Picture Based on Mixed Quantum−Classical Dynamics
Mario Barbatti;Hans Lischka.
Journal of the American Chemical Society (2008)
Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods.
Xing Gao;Shuming Bai;Daniele Fazzi;Thomas Niehaus.
Journal of Chemical Theory and Computation (2017)
Photochemistry of ethylene: a multireference configuration interaction investigation of the excited-state energy surfaces.
M. Barbatti;J. Paier;H. Lischka.
Journal of Chemical Physics (2004)
Spectrum simulation and decomposition with nuclear ensemble: formal derivation and application to benzene, furan and 2-phenylfuran
Rachel Crespo-Otero;Mario Cesar Barbatti.
Theoretical Chemistry Accounts (2012)
If you think any of the details on this page are incorrect, let us know.
We appreciate your kind effort to assist us to improve this page, it would be helpful providing us with as much detail as possible in the text box below: