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Mitric Group

Quantum & Classical Dynamics, Spectroscopy and Quantum Chemistry

  • Research
    • Light Induced Quantum-classical Dynamics
    • Time-resolved Spectroscopy
    • Quantum Chemistry
    • Supramolecular Systems: Spectroscopy and Catalysis
    • Cluster Physics and Chemistry
  • People
    • Group Members
  • Publications
  • Software
    • DFTBaby (external link)
    • metaFALCON (ext. link)
  • Funding
  • Collaborations
  • Contact
    • Open Positions
  • Research
    • Light Induced Quantum-classical Dynamics
    • Time-resolved Spectroscopy
    • Quantum Chemistry
    • Supramolecular Systems: Spectroscopy and Catalysis
    • Cluster Physics and Chemistry
  • People
    • Group Members
  • Publications
  • Software
    • DFTBaby (external link)
    • metaFALCON (ext. link)
  • Funding
  • Collaborations
  • Contact
    • Open Positions

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http://ag-mitric.chemie.uni-wuerzburg.de/qstat/index.html

Selected recent publications

A CASSCF/MRCI trajectory surface hopping simulation of the photochemical dynamics and the gas phase ultrafast electron diffraction patterns of cyclobutanone

X. Miao, K. Diemer, and R. Mitric

J. Chem. Phys., 160 , pp. 124309-1 – 124309-11, (2024)

https://doi.org/10.1063/5.0197768

FMO-LC-TDDFTB method for excited states of large molecular assemblies in the strong light-matter coupling regime

R. Einsele, L. N. Philipp, and R. Mitric

J. Chem. Phys., 161 (15), 154106, (2024)

https://doi.org/10.1063/5.0231191

Prediction of fluorescence quantum yields using the extended thawed Gaussian approximation

M. Wenzel and R. Mitric

J. Chem. Phys. 159, 234113 (2023)

https://doi.org/10.1063/5.0178106

HORTENSIA, a program package for the simulation of nonadiabatic auto ionization dynamics in molecules

K. Issler, R. Mitric and J. Petersen

J. Chem. Phys. 159, 134801 (2023)

https://dx.doi.org/10.1063/5.0167412

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