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Opendata, web and dolomites

POLYQUANT SIGNED

Theoretical developments for precision spectroscopy of polyatomic and polyelectronic molecules

Total Cost €

EC-Contrib. €

Partnership

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POLYQUANT project word cloud

Explore the words cloud of the POLYQUANT project. It provides you a very rough idea of what is the project "POLYQUANT" about.

computed accuracy theory interactions radiative adiabatic rovibronic quantum six accurate mol mechanical computation spectroscopy hamiltonians molecule dynamical database laser magnitude small tighter complete simulation fundamental energy fingerprint ultrafast orders kcal intervals relativistic precision variety resolution eigenstates experiment chemical molecular phenomena usual

Project "POLYQUANT" data sheet

The following table provides information about the project.

Coordinator	EOTVOS LORAND TUDOMANYEGYETEM Organization address address: EGYETEM TER 1-3 city: BUDAPEST postcode: 1053 website: www.elte.hu contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.
Coordinator Country	Hungary [HU]
Total cost	1˙424˙175 €
EC max contribution	1˙424˙175 € (100%)
Programme	1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
Code Call	ERC-2019-STG
Funding Scheme	ERC-STG
Starting year	2020
Duration (year-month-day)	from 2020-01-01 to 2024-12-31

Partnership

Take a look of project's partnership.

#	participants	country	role	EC contrib. [€]
1	EOTVOS LORAND TUDOMANYEGYETEM EOTVOS LORAND TUDOMANYEGYETEM Organization address address: EGYETEM TER 1-3 city: BUDAPEST postcode: 1053 website: www.elte.hu contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	HU (BUDAPEST)	coordinator	1˙424˙175.00

Map

Project objective

I propose research for an increasingly accurate quantum mechanical computation of small molecular systems including non-adiabatic, relativistic, and radiative effects. The computed rovibronic energy intervals will be directly comparable with high-resolution and precision spectroscopy measurements. The accuracy goal for theory (and experiment) is more than six-orders of magnitude tighter than the usual chemical accuracy defined to be on the order of 1 kcal/mol. The rovibronic eigenstates obtained from effective non-adiabatic, relativistic-radiative Hamiltonians to be developed will provide the most fundamental and most detailed quantum dynamical fingerprint of the molecular system, and as a complete database they are necessary for the simulation of a variety of molecular phenomena including ultrafast laser-molecule interactions.

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The information about "POLYQUANT" are provided by the European Opendata Portal: CORDIS opendata.