RG. THEORY

THURSDAY, JUNE 20, 2013 - 1:30PM

Room: 170 MATH ANNEX

Chair: SO HIRATA, University of Illinois, Urbana, IL

RG01 15min1:30

SYMMETRY, DEGENERACY, AND STATISTICAL WEIGHTS OF H₃⁺.

KYLE N. CRABTREE, Harvard-Smithsonian Center for Astrophysics, Cambridge, MA, 02138; BENJAMIN J. MCCALL, Departments of Chemistry, Astronomy, and Physics, University of Illinois, Urbana, IL, 61801.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

RG02			15min1:47

INVESTIGATION OF LARGE-AMPLITUDE MOTIONS OF H₅⁺ AND THE DYNAMICS OF THE PROTON TRANSFER BETWEEN H₃⁺ and H₂.

ZHOU LIN AND ANNE B. MCCOY, Department of Chemistry and Biochemistry, The Ohio State University, Columbus, OH 43210.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI]

RG03			10min2:04

EINSTEIN A COEFFICIENTS FOR VIBRATION-ROTATIONAL TRANSITIONS OF NO.

M. GUTIÉRREZ, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332, USA; J. F. OGILVIE, Escuela de Química and CELEQ, Universidad de Costa Rica, San José 2060, Costa Rica.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

RG04			15min2:16

OZONE PHOTOLYSIS: STRONG ISOTOPOLOGUE/ISOTOPOMER SELECTIVITY IN THE STRATOSPHERE.

FABIEN GATTI, CTMM Institut Charles Gerhardt UMR-CNRS 5253 University of Montpellier, France; STEVE NDENGUE, REMY JOST, Univ. Grenoble 1 / CNRS, LIPhy UMR 5588, Grenoble, F-38041, France; GABOR HALASZ, AGNES VIBOK, Department of Information Technology, University of Debrecen, P.O. Box 12, H-4010 Debrecen, Hungary.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

RG05			15min2:33

LINE SHAPE PARAMETERS FOR CO₂ TRANSITIONS: ACCURATE PREDICTIONS FROM COMPLEX ROBERT-BONAMY CALCULATIONS.

JULIEN LAMOUROUX AND ROBERT R. GAMACHE, Department of Environmental, Earth, and Atmospheric Sciences, University of Massachusetts Lowell, Lowell, MA 01854, USA.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

RG06			15min2:50

AB INITIO CLASSICAL DYNAMICS SIMULATIONS OF CO₂ LINE-MIXING EFFECTS IN INFRARED BANDS.

JULIEN LAMOUROUX, JEAN-MICHEL HARTMANN, HA TRAN, Laboratoire Interuniversitaire des Systèmes Atmosphériques (LISA, CNRS UMR 7583),Université Paris-Est Créteil, Université Paris Diderot, Institut Pierre-Simon Laplace, 94010 Créteil Cedex, France; MARCEL SNELS, ISAC-CNR, Via del Fosso del Cavaliere, 100 00133 Rome, Italy; STEFANIA STEFANI AND GIUSEPPE PICCIONI, IAPS-IASF, Via del Fosso del Cavaliere, 100 00133 Rome, Italy.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

RG07			15min3:07

TOWARDS EXPERIMENTAL ACCURACY FROM THE FIRST PRINCIPLES.

O. L. POLYANSKY, L. LODI, J. TENNYSON, Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UK; N. F. ZOBOV, Institute of Applied Physics, Russian Academy of Sciences, 46 Uljanova St., 603950, Nizhny Novgorod, Russia.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

RG08			15min3:24

HOW MANY VIBRATIONAL LEVELS DOES THE GROUND ELECTRONIC STATE OF THE SODIUM DIMER SUPPORT?.

PHOTOS G. HAJIGEORGIOU, Department of Life and Health Sciences, University of Nicosia, Nicosia 1700, Cyprus.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI]

INTERMISSION

RG09			15min4:00

RESONANCE AND REVIVALS IN QUANTUM ROTORS: COMPARING HALF-INTEGER SPIN AND INTEGER SPIN.

ALVASON ZHENHUA LI AND WILLIAM G. HARTER, Microelectronics-Photonics Program, Department of Physics, University of Arkansas, Fayetteville, AR 72701.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

RG10			15min4:17

EFFECTS OF SUPERFINE STRUCTURE LEVEL-CLUSTER CROSSING ON AMPLITUDE AND PHASE REVIVAL DYNAMICS: COMPARING TETRAHEDRAL AND OCTAHEDRAL SPHERICAL ROTORS WITH ICOSAHEDRAL ROTORS.

WILLIAM G. HARTER AND ALVASON ZHENHUA LI, Department of Physics, University of Arkansas, Fayetteville, AR 72701.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

RG11			15min4:34

EXACT QUANTUM DYNAMICS CALCULATIONS USING PHASE SPACE WAVELETS.

THOMAS HALVERSON, BILL POIRIER, Department of Chemistry and Biochemistry, and Department of Physics, Texas Tech University, P.O. Box 41061, Lubbock TX, USA.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

RG12			15min4:51

ACHIEVING THE COMPLETE-BASIS LIMIT IN LARGE MOLECULAR CLUSTERS: COMPUTATIONALLY EFFICIENT PROCEDURES TO ELIMINATE BASIS-SET SUPERPOSITION ERROR.

RYAN M. RICHARD, JOHN M. HERBERT, Department of Chemistry and Biochemistry, The Ohio State University, Columbus, OH 43210.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

RG13			15min5:08

VIBRATIONAL ANYLASIS ON I(H₂O)^- and I(D₂O)^- SPECTRA.

MENG HUANG AND ANNE B. MCCOY, Department of Chemistry, The Ohio State University, Columbus, Ohio 43210.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

RG14			10min5:25

AB-INITIO STUDY OF THE GROUP 2 HYDRIDE ANIONS.

JOE P. HARRIS, TIMOTHY G. WRIGHT AND DANIEL R. MANSHIP, School of Chemistry, University Park, University of Nottingham, NG7 2RD, United Kingdom.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

RG15			15min5:37

ACCURATE INTERMOLECULAR INTERACTIONS AT DRAMATICALLY REDUCED COST AND A MANY-BODY ENERGY DECOMPOSITION SCHEME FOR XPol+SAPT.

KA UN LAO AND JOHN M. HERBERT, Department of Chemistry and Biochemistry, The Ohio State University, Columbus, OH 43210.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI]