ADVANCED WORKSHOP ON

 

 

"THEORETICAL AND COMPUTATIONAL METHODS FOR MOLECULAR SPECTROSCOPY AND COLLISIONS: APPLICATION TO ASTROPHYSICAL AND ATMOSPHERICAL RELEVANT SYSTEMS"

 

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        lsama3-logo-petit

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GRANADA

Carmen de la Victoria

7-10 May 2009

 

Y

 

CONFERENCE PROGRAM

 

The GEFAM (Molecular and Atomic Physics Group) of the Spanish Royal Society of Physics calls for Young new members

(call and template – GESAM)

 

PHOTO GALLERY

 

SOC

    M.L.Senent , Instituto de Estructura de la Materia, CSIC (chair)

     M. Hochlaf, Université Paris-Est Marne la Vallée (chair)

     A. Niño, Universidad de Castilla la Mancha

     N. Jaïdane,  Universidad de Tunez el Manar

 

LOC

   C. Muñoz-Caro, Universidad de Castilla la Mancha (chair)

    Carlos A. Abia, Universidad de Granada (chair)

    A. ben Houria, Université de Tunis el Manar

    H. Massó Gonzalez, Leiden Observatory              

    M. E. Castro, Universidad de Castilla la Mancha   

    N. P. Inostroza, Universidad Andrés Bello      

 

 

 

 

                             

CONFERENCE LOCALIZATION  (how to reach ¡¡¡¡¡)

    CARMEN DE LA VICTORIA, Universidad de Granada

    Address: Cuesta del Chapiz, 9   18001 G r a n a d a
    Tf: +34-958223122; Fax +34-958220910 
    E-mail: rinvitadoscarmenv@ugr.es

 

 

 

 

 

SUBJECTS

Theoretical methods for molecular spectroscopy in gas phase : electronic, vibrational, rotational and hyperfine structures; radiative intensities

Theoretical methods for non reactive collisions: rovibrational excitations and collisional intensities

Theoretical methods for solid-gas interfaces and plasmas

Computational methods

Applications to Astrophysical Systems and Atmospherical Chemistry

 

 

Workshop aim

This advanced workshop is a meeting of European scientists expert in Theoretical and Computational methods for spectroscopy applied to Molecular Astrophysics and atmospherical systems. Our purpose is to put together a group middle age people competent for organizing future projects, research activities and international collaborations.

The number of participant in the workshop is limited. However, everybody, European, young and expert will be well received. We are especially interested in programmers of computer codes for spectroscopy and for collisional studies.

Although the conference has a fundamentally theoretical character, experimentalists are also invited to participate if they are capable of proposing us new problems that can force the development of new methodology. Experimental problems, suitable for theoretical treatments, are well received.

 

Meeting Program

Registration, Accommodations and Related Information

Useful Links

Author Index

Sponsors

 

 

 

 

Meeting Program

(last version: 20-April-2009)

 

 

Thursday, 07th

 

Session 6. Applications II                                   

Chair: Alfonso Niño

18:00-20:00

Registration (in “Carmen de la Victoria”)

11:35-11:55

The effect of increasing the excitation level of the sodium atom on the structure of the Na*Grn polyatomic exciplexes. Mounir Ben El Hadj Rhouma

20:00

Welcome Cocktail (Cafeteria in “Carmen de la Victoria”)

11:55-12:15

Collision and semicollisional processes involving open-shell species and non-adiabatic couplings in gas phase and gas/surface interfases. María Pilar de Lara-Castells

 

Friday, 08th

 

12:15-12:35

Theoretical research of the influence of the isomorphous cation substitution and pressure on the structure and elastic properties of 2:1 dioctahedral phyllosilicates. Alfonso Hernández-Laguna

08:30-09:00

Registration (in “Carmen de la Victoria”)

12:35-12:55

Discussion VI

09:00-09:30

Welcome (Scientific Organizing Committee)

12:55-15:00

Lunch time (Restaurant in “Carmen de la Victoria”)

Session 1. Spectroscopy I                                   

Chair: María Luisa Senent

Session 7. Reactive Collisions I                                

Chair: Anne B. McCoy

09:30-09:50

Microwave Spectroscopy of Internal Rotors and Applications to Astrophysical Molecules. Isabelle Kleiner

15:00-15:20

Reactive scattering calculations for the OH + atom reactions. Pascal Honvault

09:50-10:10

Quantum-chemical calculation of spectroscopic parameters for rotational spectroscopy: Application to astrophysics and atmospherical systems. Cristina Puzzarini

 

15:20-15:40

 

Quantum, classical and statistical approaches to reactivity: Applications to the Si+O2 –> SiO+O reaction. Fabrice Dayou

10:10-10:30

Theoretical methodology for the accurate evaluation of large van der Waals complex rovibrational spectra. Berta Fernández

15:40-15:50

Discussion VII

10:30-10:50

Vibrational energies of the PH3 molecule calculated at the complete basis limit from a new ab initio potential energy surface. Miguel Carvajal

15:50-16:20

Coffee Break (Cafeteria in “Carmen de la Victoria”)

10:50-11:10

Discussion I

Session 8. Reactive Collisions II                                     

Chair: Carlos Abia

11:10-11:40

Coffee break (Cafeteria in “Carmen de la Victoria”)

16:20-16:40

Accounting for strong anharmonicity in Jahn-Teller and pseudo-Jahn-Teller systems. Wolfgang Eisfeld

Session 2. Spectroscopy II                                           

Chair: Majdi Hochlaf

16:40-17:00

Low-energy processes in the H3- system. Olivier Dulieu

11:40-12:00

Time independent and time dependent methods for the calculation of vibrational spectra beyond the harmonicity. Phillipe Carbonnière

17:00-17:20

Interactions, bound states, and collision dynamics of O2 +O2: an ab initio study. Marta I. Hernández

12:00-12:20

Quantum dynamics of floppy molecular systems with ElVibRot and Tnum. David Lauvergnat

17:20-17:40

Discussion VIII

 

12:20-12:40

Vibronic coupling in triatomic radicals and its spectroscopic implications: two and tree steate interactions in doublets and triplets. Riccardo Tarroni

Session 9. Computation                                    

Chair: Alfonso Niño

12:40-13:00

Discussion II

17:40-18:00

The Virtual Observatory: an e-Science environment for discovery and collaboration in astrophysics. Juan de Dios Santander-Vela

13:00-15:00

Lunch time (Restaurant in “Carmen de la Victoria”)

18:00

Discussion Table: Computation

Chair: Alfonso Niño

Session 3. Spectroscopy III                                     

Chair: Attila G. Császár

21:00

Visit to the Alhambra Palace

15:00-15:30

Diffusion Monte Carlo approaches –DMC- for spectroscopic properties and reactivity. Anne B. McCoy

Sunday, 10th

15:30-15:50

Accurate rovibrational energy levels of 14NH3 / 15NH3 up to 6000 cm-1.  Xinchuan Huang

Session 10. Non-reactive Collisions             

Chairs: Nejmedin Jaïdane and Nicole Feautrier

15:50-16:00

Discussion III

09:00-09:20

Rotational excitation of SO2 by H2 in cold dark clouds. Nicole Feautrier

16:00-16:30

Coffee break (Cafeteria in “Carmen de la Victoria”)

09:20-09:40

The rotational excitation of the SiS molecule by H2. François Lique

Session 4. Applications I                                       

Chair: Olivier Dulieu

09:40-10:00

Molecular collisional rates: recent advances and future challenges. Alexandre Faure

16:30-16:50

Experimental aspects of the Time-resolved reaction dynamics. Lionel Poisson

10:00-10:20

Separating elastic and inelastic collisions: Experiment and theory. Sarantos Marinakis

16:50-17:00

Discussion IV

10:20-10:40

Radiative transfer in masing lines. Fabien Daniel

17:00

Discussion Table: Spectroscopy

Chair: María Luisa Senent

10:40-11:00

Discussion IX

 

Saturday, 09th

11:00-11:30

Coffee Break (Cafeteria in “Carmen de la Victoria”)

Session 5. Spectroscopy IV                                   

Chair: David Lauvergnat

Session 11. Reactive Collisions III

Chair: Majdi Hochlaf

09:00-09:20

Quantum Spectroscopy. Attila G. Császár

11:30-11:50

Reactive collisions of electrons with molecular cations: mechanisms, interactions, and sensitivity of the computed rates with respect to molecular structure data. Ioan Schneider

09:20-09:40

TROVE: A new approach to generating theoretical line lists of small molecules with near-experimental accuracy. Sergei N. Yurchenko

11:50-12:00

Discussion X

09:40-10:00

The vibrational mean field configuration interaction method and its implementation in CONVIV. Patrick Cassam-Chenaï

12:00

Discussion Table: Collisions and Final discussion

Chair: Majdi Hochlaf

10:00-10:20

A Novel Method to Evaluate Molecular Force Constants from Algebraic Spectroscopic Parameters. Francisco Pérez-Bernal

13:30

Lunch and acknowledgements (Scientific Organizing Committee)

10:20-10:40

Renormalized-grid discrete variable representation. Viktor Szalay

 

 

10:40-11:05

Discussion V

 

 

11:05-11:35

Coffee break (Cafeteria in “Carmen de la Victoria”)

 

 

 

A unique and permanent posters session will start Friday 8th at 9:00 h. until Sunday 10th at 13:30 h. as a part of the program of the Workshop.

 

 

Registration, Accommodations and Related Information

The workshop will have a limited to a number of participants. Everybody interested should contact organizers by E_mail:

M.L.Senent senent@damir.iem.csic.es

M.Hochlaf hochlaf@univ-mlv.fr

A. Niño Alfonso.Nino@uclm.es

C.MuñozCaro Camelia.Munoz@uclm.es

 

To download

registration_form

abstract-template

 

Contact organizers for room reservation in:

 

 

Residencia:

CARMEN DE LA VICTORIA

Residencia:

LA CORRALA DE SANTIAGO

Hotel:

CASA DEL CAPITEL NAZARI

Reservations should be done by E_mail:

<info@hotelcasacapitel.com>

 

How to reach

Granada

From Madrid, Sevilla and Málaga (see http://www.granadatur.com/en/travel-transport/arriving-in-granada/)

once in Granada ( see http://www.granadatur.com/en/travel-transport/moving-around-in-granada/)

 

 

How to reach

Where is Carmen de la Victoria? (Map1 and Map 2)

transport information in    http://www.granadatur.com/en/

Granada map

Granada transports (bus)

MADRID (Metro, Map)

 

 

Other Links

 

Instituto de Estructura de la Materia, CSIC

Université Paris-Est Marne la Vallée

Universidad de Castilla la Mancha

Université de Tunis el Manar

Universidad de Granada

Turismo (Granada)

Alhambra (Granada)

Observatorio del Pico Veleta

Sierra Nevada

Playas de Granada

 

 

Author Index

 

C. Abia, Universidad de Granada

M. Alcami, Universidad Autónoma de Madrid

O. Alvarez Bajo, Universidad de Huelva

M. Belhajrhouma, University of Monastir

D. ben Abdallah, Université de Tunis el Manar

A. ben Houria, Université de Tunis el Manar

P. Carbonnière, Université de Pau

M. Carvajal, Universidad de Huelva

P. Cassam-Chenai, Université de Nice

M. E. Castro, Universidad de Castilla la Mancha

A.G. Császár, Eötvös University of Budapest

F.Daniel, Instituto de Astrobiología, CSIC

F.Dayou, Observatoire de Paris-Meudon

R. Domiguez-Gómez, Universidad Politécnica de Madrid

O. Dulieu, Université Paris-Sud

W. Eisfeld, Bielefeld University, Germany

A. Faure, Observatoire de Grenoble

N. Feautrier, Observatoire de Paris-Meudon

B. Fernández, Universidad de Santiago de Compostela

M. Gitou , Université Paris-Est Marne la Vallée

F. Gordillo, Instituto de Astrofísica de Andalucía, CSIC

R. Guerout , Université Paris-Sud

D. Hammoutene, Université Houari Boumediene, Argel

A. Hernández Laguna, Estación del Zaidín, CSIC

M. I. Hernández, CSIC-Madrid

M. Hochlaf, Université Paris-Est Marne la Vallée

P. Honvault , Université Franche-Comté

 

X. Huang, NASA Ames Research Center, USA

N. Inostrosa, Universidad Andrés Bello de Chile

N. Jaïdane, Université de Tunis el Manar

I. Kleiner, Université de Paris XII et Paris VII and CNRS

M. P. de Lara Castells, CSIC-Madrid

D. Lauvergnat, Université de Paris-Orsay

F. Lique, Université de Le Havre

A. Mc Coy, Ohio State University

S. Marinakis, Université Pierre et Marie Curie

M. Mora, Universidad de Castilla la Mancha

F. Perez Bernal, Universidad de Huelva

C.Pérez del Valle, Estación experimental del Zaidín, CSIC

L. Poisson, Laboratoire Francis Perrin, CE Saclay

C. Puzzarini, Università di Bologna

H. Massó Gonzalez, Leiden Observatory

C. Muñoz-Caro, Universidad de Castilla la Mancha

A. Niño, Universidad de Castilla la Mancha

J.D.Santander,  Instituto de Astrofísica de Andalucía, CSIC

I. Schneider, Université de Le Havre

Y.Scribano, Observatoire de Grenoble

M.L. Senent, Instituto de Estructura de la Materia, CSIC

A.Spiefieldel, Observatoire de Paris Meudon

V.Szalay, Academia Húngara de Ciencias

R.Tarroni, Università di Bologna (Rimini)

V. Timón, CSIC-Estación del Zaidín, CSIC

L.Verdes, Instituto de Astrofísica de Andalucía, CSIC

S.Yurchenko, Dresden University

 

 

GEFAM (RSEF)

(Molecular and Atomic Physics Group, Spanish Royal Society of Physics)

 

El Grupo Especializado de Física Atómica y Molecular (GEFAM)

de la

Real Sociedad Española de Física (RSEF)

Apoya la organización del workshop:

“THEORETICAL AND COMPUTATIONAL METHODS FOR MOLECULAR SPECTROSCOPY AND COLLISIONS: APLICATIONS TO ASTROPHYSICAL AND ATMOSPHERICAL RELEVANT SYSTEMS”

Invitando a los jóvenes investigadores participantes a que se unan a nuestro grupo especializado.

 What is GEFAM?

 Regitration template for new members (GEFAM)

 

 

Sponsors