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114 Poster session, H1Computation of Collision-Induced Absorption by Simple MolecularComplexes, for Astrophysical ApplicationsMartin Abel 1 , Lothar Frommhold 2 , Xiaoping Li 3 , Katharine L.C. Hunt 41The University of Texas at Austin, USA, mabel@physics.utexas.edu; 2 The University ofTexas at Austin, USA, frommhold@mail.utexas.edu; 3 Michigan State University, USA,lix@msu.edu; 4 Michigan State University, USA, klch@chemistry.msu.eduAbel M.Frommhold L.Li X.Hunt K.L.C.The interaction-induced absorption by collisional pairs of H 2 molecules is an importantopacity source in the atmospheres of various types of planets and cool stars, such as latestars, low-mass stars, brown dwarfs, cool white dwarf stars, the ambers of the smaller,burnt out main sequence stars, exoplanets, etc., and therefore of special astronomicalinterest. 1 The emission spectra of cool white dwarf stars differ significantly in theinfrared from the expected blackbody spectra of their cores, which is largely due toabsorption by collisional H 2--H 2, H 2--He, and H 2--H complexes in the stellaratmospheres. Using quantum-chemical methods we compute the atmospheric absorptionfrom hundreds to thousands of kelvin. 2 Laboratory measurements of interaction-inducedabsorption spectra by H 2 pairs exist only at room temperature and below. We show thatour results reproduce these measurements closely, 3 so that our computational datapermit reliable modeling of stellar atmosphere opacities even for the highertemperatures. 4 First results for H 2--He complexes 5 have already been applied toastrophysical models 6 and have shown great improvements in these models.References[1] L. Frommhold, Collision-Induced Absorption in Gases, Cambridge University Press,Cambridge, New York, 1993 and 2006[2] X. Li, K. L.C. Hunt, F. Wang, M. Abel, and L. Frommhold, Collision-InducedInfrared Absorption by Molecular Hydrogen Pairs at Thousands of Kelvin, Int. J. ofSpect., vol. 2010, Article ID 371201, 11 pages, 2010. doi: 10.1155/2010/371201[3] M. Abel, L. Frommhold, X. Li, and K. L.C. Hunt, Collision-induced absorption byH 2 pairs: From hundreds to thousands of Kelvin, J. Phys. Chem. A, 115, 6805-6812,2011[4] L. Frommhold, M. Abel, F. Wang, M. Gustafsson, X. Li, and K. L. C. Hunt, Infraredatmospheric emission and absorption by simple molecular complexes, from firstprinciples, Mol. Phys. 108, 2265, 2010[5] M. Abel, L. Frommhold, X. Li, and K. L. C. Hunt, Infrared absorption by collisionalH 2--He complexes at temperatures up to 9000 K and frequencies from 0 to 20000 cm-1,J. Chem. Phys., 136, 044319, 2012[6] D. Saumon, M. S. Marley, M. Abel, L. Frommhold, and R. S. Freedman, New H 2collision-induced absorption and NH3 opacity and the spectra of the coolest browndwarfs, The Astrophysical Journal, 750, 74, 2012
Poster session, H2 115Radiative association of LiHe +Lucie Augustovičová 1 , Vladimír Špirko 2 , Wolfgang. P. Kraemer 3 , Pavel Soldán 41 Department of Chemical Physics and Optics, Faculty of Mathematics and Physics,Charles University in Prague, Ke Karlovu 3, CZ-12116 Prague 2, Czech Republic,augustovicova@karlov.mff.cuni.cz; 2 Center for Biomolecules and Complex MolecularSystems, Institute of Organic Chemistry and Biochemistry, Academy of Sciences of theCzech Republic, Flemingovo nám. 2, CZ-16010 Prague 6, Czech Republic,vladimir.spirko@marge.uochb.cas.cz; 3 Max-Planck-Institute of Astrophysics, Postfach1371, D-85741 Garching, Germany,wpk@mpa-garching.mpg.de; 4 Department ofChemical Physics and Optics, Faculty of Mathematics and Physics, Charles Universityin Prague, Ke Karlovu 3, CZ-12116 Prague 2, Czech Republic,pavel.soldan@mff.cuni.czAugustovicova L.Kraemer W.P.Spirko V.Soldan P.Spontaneous radiative association of the molecular ion LiHe+ is investigated includingthree electronic states X 1 ∑ + , A 1 ∑ + , and a 3 ∑ + . Cross sections for four processes ofradiative association X →X, A → A, A → X, and a → a are calculated as functions ofcollision energy. The corresponding rates of formation are derived as functions oftemperature. The A→X radiative association process exhibits the largest cross sectionsand rate coefficients because of the huge amount of the de-excitation energy from the Ato X state.References[1] L. Augustovičová, V. Špirko, W. P. Kraemer, P. Soldán, Chem. Phys. Lett. 531,5963, 2012
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Book of abstractsof the 22 th Inter
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CommitteesLocal Organizing committe
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Table of contentProgram of sessions
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8 Program of sessionsInvited Lectur
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10 Program of sessionsD6 Tasinato N
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12 Program of sessionsD23 Underwood
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14 Program of sessionsD43 Kirkpatri
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16 Program of sessionsG5 Ebert V. 1
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20 Program of sessionsH36 Vogt N.,
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22 Program of sessionsJ8 Tudorie M.
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24 Program of sessionsJ26 Osman O.,
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26 Program of sessionsIoannes Marcu
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28 Program of sessionsContributed L
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Invited LecturesASeptember 4, Tuesd
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Invited Lectures, A2 33Ultra sensit
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36 Contributed Lectures, B1Chirped-
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38 Contributed Lectures, B3Chirped
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40 Contributed Lectures, B5Laborato
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Invited LecturesCSeptember 4, Tuesd
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Invited Lectures, C2 45Chiral recog
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48 Poster session, D1Spectroscopic
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50 Poster session, D3Ab-initio norm
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52 Poster session, D5The 2 and 4
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54 Poster session, D7IR spectroscop
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56 Poster session, D9The stretching
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58 Poster session, D11Rotationally-
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60 Poster session, D13Frequency ana
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62 Poster session, D15High-L atomic
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Page 86 and 87: 86 Poster session, D39Low-energy vi
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164 Poster session, J1Synthesis, Ch
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166 Poster session, J3Radio Search
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168 Poster session, J5N 2 -, O 2 -
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170 Poster session, J7Quantum-class
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172 Poster session, J9On the ECS fo
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174 Poster session, J11Measurement
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176 Poster session, J13Review of th
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178 Poster session, J15Halogen bond
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180 Poster session, J17Multispectru
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182 Poster session, J19Potential en
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184 Poster session, J21The Study of
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186 Poster session, J23Pollutants m
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188 Poster session, J25Preparation
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190 Poster session, J27Databases of
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192 Poster session, J29Ozone FTS sp
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194 Poster session, J31Joint Ro-Vib
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196 Poster session, J33Water vapor
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198 Poster session, J35Line positio
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200 Poster session, J37Hyperfine St
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202 Poster session, J39Rotational a
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204 Poster session, J41Tissue Bondi
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Ioannes Marcus MarciKSeptember 6, T
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Invited LecturesLSeptember 7, Frida
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Invited Lectures, L2 211Collision-I
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214 Contributed Lectures, M1Flexibl
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216 Contributed Lectures, M3Continu
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218 Contributed Lectures, M5High-pr
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Contributed LecturesNSeptember 8, S
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Contributed Lectures, N2 223Two- di
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Contributed Lectures, N4 225Spectro
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Contributed Lectures, N6 227Spin-or
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Contributed Lectures, N8 229Quantum
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Contributed Lectures, N10 231Line m
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234 Author indexAAbdelghany A. —
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236 Author indexChoi B. — D33Ciur
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238 Author indexGGambi A. — D6Gä
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240 Author indexKhelkhal M. — D29
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242 Author indexMartin M.A. — D31
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244 Author indexPolyansky O. — D2
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246 Author indexSzajna W. — H29,
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248 Author indexZamotaeva V.A. —
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250 EmailsAbdelghany A.Abdelghany A
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252 EmailsGuarnieri A.ag@tf.uni-kie
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254 EmailsMichaut X.Xavier.Michaut@
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256 EmailsTyuterev Vl.G.vladimir.ti
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FT-IR spectrometerIFS 125HROutstand
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32nd International Symposium on Fre
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Some more information
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Addresses:Conference Site: National
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