Modelling of fluorescence spectra of molecular systems using mixed quantum and classical dynamic techniques

Operation co-funded by EU cohesion policy (European Social Fund (ESF)) under the programme EU Structural Funds Investments - LT - ERDF/ESF/CF/YEI (2014LT16MAOP001), managing authority: Finansų ministerija. The source names no beneficiary for this operation. Location: Vilnius County (NUTS LT011); Lithuania. Budget: total eligible expenditure EUR 2,816.33; EU co-financing EUR 2,816.33 (co-financing rate 100%), as stated by the source. Runs 2019-10-11 to 2020-04-30. Source: Kohesio, EU cohesion policy projects managed by national and regional authorities (not CORDIS); selected because its title uses a quantum word. Summary from Kohesio (English machine translation by the source): Fluorescence spectra is an important source of information about the electronic layers of molecular systems, their equilibrium fillers and their interaction with the degrees of freedom of the vibration environment. The modelling of these spectrums is based on the formalism of the response function. However, the simulation of fluorescence spectra is much more complex than absorption spectra because the equilibrium state of electronic excitation needs to be taken into account. This leads to a lack of methods that are both accurate and versatile and do not require very high computing capacity. The purpose of this work is to apply mixed quantum and classical dynamics methods for the calculation of fluorescence spectra of molecular systems. The quantum-classic equation of Liuvilio is characterised by the fact that it is formally accurate in linear interaction with the harmonic environment. In addition, mixed quantum and classical dynamics techniques are characterised by versatility. Successful application of this method for the calculation of fluorescence spectra would open the paths to model fluorescence spectra of larger real molecular systems in the future.

Original source.

Source: Kohesio (EU cohesion policy projects), European Commission, Directorate-General for Regional and Urban Policy (DG REGIO). Retrieved 2026-10-21. Licence: CC0 1.0 (Cohesion Open Data Platform, dataset 2014-2020 Kohesio projects). Selected metadata, adapted presentation; the publisher's record is authoritative. No endorsement by the source is implied. Licence: public domain dedication (CC0 1.0).

AI-assisted summary: The project focuses on modeling fluorescence spectra of molecular systems using mixed quantum and classical techniques, co-funded by the EU in Vilnius County, Lithuania, with a total budget of EUR 2,816.33 from 2019-10-11 to 2020-04-30. Suggested technology pillar: simulation. Generated by AI from the public source text; it may contain errors and the original source is authoritative.