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Content archived on 2022-12-23

Multivector correlations in gas-phase chemistry

Objective

The Network joins forces of eight teams to make crucial progress in the field of gas-phase state-resolved chemistry. It includes theoretical and experimental studies of differential scattering of atomic particles in long-lived excited states under absorption/radiation of photons during the collisions. Analytical theory to be developed will give the possibility to trace the rearrangement of differential cross sections when passing from resonant and metastable excited states via Rydberg states to ionic states. The specific calculations for quasimolecules will be based on the calculations of potential energy surfaces and dipole moments. The close-coupling dynamics calculations and succeeding experiments will demonstrate the possibility of quantum manipulations of atoms in long-lived states.

To avoid any ambiguities in the interpretation of experimental data the work on the project begins with calculations of potential energies and moments of systems such as He+(2s)-Ar, He(21,3S)-Ne, Ar(3p54s)-He, Ca(4snp)-He, Na(nl)-He, Hg(6s6p)-He, Hg(6s6p)-H2 quasimolecules in multireference single-and double-exitation configuration-interaction method and semiempirical method. The energies and moments of the highionized F8+-F7+, F8+-Li3+, F8+-C6+, quasimolecules will be calculated in the frame of ab initio approach. The analytical theory of differential cross sections will be developed for
ions and atoms in metastable states;
atoms in Rydberg states;
collisions of excited atoms with diatomic quasimolecules.
The specific calculations will be performed for quasimolecules mentioned above. The close-coupling dynamics calculations and pilot experiments will performed for the He+(2s)-Ar quasimolecule.
The expected combined result of the Network is a comprehensive quantitative understanding of complete scattering experiments with highionized, Rydberg, excited and metastable atoms. It includes the results of specific calculations and experiments on quasimolecules mentioned above as well as the analytical theory of multivector correlations in gas-phase chemistry and a ground work on for the based on differential scattering spectroscopy of weakly bounded van der Waals molecules. All results of the Network shall become available via Internet, and Lecture Notes of two workshops

Call for proposal

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Funding Scheme

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Coordinator

National Hellenic Research Foundation
EU contribution
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Address
Vassileos Constantinou Ave 48
116 35 Athens
Greece

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Total cost
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Participants (7)