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ADVANCED WORKSHOP ON |
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"THEORETICAL AND COMPUTATIONAL METHODS FOR MOLECULAR SPECTROSCOPY
AND COLLISIONS: APPLICATION TO ASTROPHYSICAL AND ATMOSPHERICAL RELEVANT
SYSTEMS" |
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GRANADA 7-10 May 2009 |
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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 |
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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
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CONFERENCE LOCALIZATION (how to reach ¡¡¡¡¡) CARMEN DE LA VICTORIA, Universidad
de Granada |
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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 |
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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. |
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(last version: 20-April-2009) |
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Thursday, 07th |
Session 6. Applications II Chair: Alfonso Niño |
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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 |
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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 |
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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 |
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08:30-09:00 |
Registration (in “Carmen
de la Victoria”) |
12:35-12:55 |
Discussion VI |
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09:00-09:30 |
Welcome (Scientific Organizing
Committee) |
12:55-15:00 |
Lunch
time (Restaurant in “Carmen de la Victoria”) |
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Session 1.
Spectroscopy I Chair: María Luisa Senent |
Session 7. Reactive Collisions I Chair: Anne B. McCoy |
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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 |
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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 |
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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 |
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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”) |
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10:50-11:10 |
Discussion I |
Session 8. Reactive Collisions II Chair: Carlos Abia |
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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 |
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Session 2.
Spectroscopy II Chair: Majdi Hochlaf |
16:40-17:00 |
Low-energy
processes in the H3- system. Olivier Dulieu |
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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 |
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12:00-12:20 |
Quantum dynamics of floppy molecular systems with ElVibRot and Tnum.
David Lauvergnat |
17:20-17:40 |
Discussion VIII |
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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 |
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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 |
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13:00-15:00 |
Lunch time (Restaurant in “Carmen de la Victoria”) |
18:00 |
Discussion Table: Computation Chair: Alfonso Niño |
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Session 3. Spectroscopy III Chair: Attila
G. Császár |
21:00 |
Visit to the Alhambra Palace |
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15:00-15:30 |
Diffusion
Monte Carlo approaches –DMC- for spectroscopic properties and reactivity. Anne B. McCoy |
Sunday, 10th |
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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 |
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15:50-16:00 |
Discussion
III |
09:00-09:20 |
Rotational excitation of
SO2 by H2 in cold dark clouds. Nicole Feautrier |
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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 |
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Session 4. Applications I Chair: Olivier
Dulieu |
09:40-10:00 |
Molecular collisional
rates: recent advances and future challenges. Alexandre Faure |
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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 |
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16:50-17:00 |
Discussion IV |
10:20-10:40 |
Radiative transfer in
masing lines. Fabien Daniel |
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17:00 |
Discussion Table: Spectroscopy Chair: María Luisa Senent |
10:40-11:00 |
Discussion IX |
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Saturday, 09th |
11:00-11:30 |
Coffee Break (Cafeteria in “Carmen de la Victoria”) |
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Session 5.
Spectroscopy IV Chair: David Lauvergnat |
Session 11.
Reactive Collisions III Chair: Majdi Hochlaf |
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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 |
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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 |
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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 |
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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) |
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10:20-10:40 |
Renormalized-grid
discrete variable representation. Viktor Szalay |
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10:40-11:05 |
Discussion V |
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11:05-11:35 |
Coffee break (Cafeteria in “Carmen de la Victoria”) |
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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. |
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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 |
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Contact
organizers for room reservation in: |
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Residencia: |
Residencia: |
Hotel: Reservations should be done by E_mail: <info@hotelcasacapitel.com> |
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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/) |
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How to reach Where is Carmen de la Victoria? (Map1 and Map 2) transport information in http://www.granadatur.com/en/ MADRID (Metro, Map) |
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Instituto de Estructura de la Materia, CSIC Université
Paris-Est Marne la Vallée |
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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
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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 |
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(Molecular and Atomic Physics Group, Spanish Royal Society of Physics)
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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. Regitration template for new
members (GEFAM) |
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