MH. THEORY

MONDAY, JUNE 21, 2004 - 1:30PM

Room: 1000 MCPHERSON LAB

Chair: SPIRIDOULA MATSIKA, Temple University, Philadelphia, PA

MH01 15min1:30

CHIRALITY IN ROTATIONAL ENERGY LEVEL CLUSTERS.

P. R. BUNKER, Steacie Institute for Molecular Sciences, National Research Council of Canada, Ottawa, Ontario K1A 0R6, Canada; PER JENSEN, FB 9 - Theoretische Chemie, Bergische Universität, D-42097 Wuppertal, Germany.

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

MH02			15min1:47

THE USE OF TENSORIAL FORMALISM IN MOLECULAR SPECTROSCOPY: ADVANTADGES AND RECENT ADVANCES.

V. BOUDON, J.-P. CHAMPION, T. GABARD, M. LOETE, F. MICHELOT, G. PIERRE, M. ROTGER, CH. WENGER, Laboratoire de Physique de l'Université de Bourgogne, CNRS UMR 5027, 9, Avenue Alain Savary, BP 47870, F-21078 Dijon Cedex, France; M. REY, Physical Chemistry, ETH-Zürich, CH-8093, Zürich, Switzerland.

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

MH03			15min2:04

STARK EFFECT USING TENSORIAL FORMALISM IN THE D_2h GROUP: APPLICATION TO THE C₂H₄ MOLECULE.

W. RABALLAND, M. ROTGER, V. BOUDON, M. LOETE, Laboratoire de Physique de l'Université de Bourgogne, CNRS UMR 5027, 9, Avenue Alain Savary, BP 47870, F-21078 Dijon Cedex, France.

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

MH04			15min2:21

SYMMETRY-ADAPTED TENSORIAL FORMALISM FOR THE SPECTROSCOPY OF THE SO₂F₂ QUASI-SPHERICAL TOP: APPLICATION TO THE BENDING TRIAD.

M. ROTGER, V. BOUDON, M. LOETE, N. ZVEREVA-LOETE, Laboratoire de Physique de l'Université de Bourgogne, CNRS UMR 5027, 9, Avenue Alain Savary, BP 47870, F-21078 Dijon Cedex, France.

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

MH05			15min2:38

GLOBAL ANALYSIS OF THE WATER MOLECULE SPECTRUM BEYOND THE SECOND TRIAD.

L. H. COUDERT, Laboratoire de Photophysique Moléculaire, C.N.R.S., Bât. 350, Université Paris-Sud, 91405 Orsay Cedex, France.

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

MH06			15min2:55

THE EMERGENCE OF A SINGLE FRAME AND EFFECTS ON QUANTUM STATES AND LEVELS FOR ROTOR-ROTOR INTERACTIONS.

HORACE T. CROGMAN AND WILLIAM G. HARTER, Department of Physics, University of Arkansas Fayetteville, AR 72701.

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

MH07			15min3:12

CLASSICAL, SEMI-CLASSICAL, AND QUANTUM DYNAMICS OF UNI-AXIAL AND MULTI-AXIAL FLOPPY ROTORS.

WILLIAM G. HARTER AND HORACE T. CROGMAN, Department of Physics, University of Arkansas, Fayetteville, AR 72701.

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

INTERMISSION

MH08			15min3:45

NEW TECHNIQUES FOR THE CALCULATION OF RO-VIBRATIONAL ENERGY LEVELS OF CH4.

DAVID W. SCHWENKE, NASA Ames Research Center, MS T27B-1, Moffett Field, CA 94035-1000.

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

MH09			15min4:02

A VARIATIONAL METHOD OF THE ROVIBRATIONAL ENERGIES OF POLYATOMIC MOLECUES.

H.-G. YU, Department of Chemistry, Brookhaven National Laboratory, Upton, NY 11973-5000, USA.

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

MH10			15min4:19

CONTRACTED BASIS LANCZOS METHODS FOR COMPUTING NUMERICALLY EXACT ROVIBRATIONAL LEVELS OF METHANE.

X. G. WANG AND T. CARRINGTON JR., Département de chimie, Université de Montréal, C.P. 6128, succursale Centre-ville, Montréal (Québec) H3C 3J7, Canada.

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

MH11			10min4:36

COMBINATION DIFFERENCES: VICTIM OF A "BUM RAP"?.

J. TELLINGHUISEN, Department of Chemistry, Vanderbilt University, Nashville, TN 37235.

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

MH12			15min4:48

APPLICATION OF A DIRECT POTENTIAL FITTING METHOD TO THE B¹ Sigma

⁺ AND X¹

⁺ ELECTRONIC STATES OF HF AND DF.

JOHN A. COXON, Department of Chemistry, Dalhousie University, Halifax, Nova Scotia B3H 4J3, Canada; PHOTOS G. HAJIGEORGIOU, Department of Biosciences, Intercollege, Nicosia, Cyprus.

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

MH13			15min5:05

SPLINE FITTING OF TERM ENERGIES AND ROTATIONAL CONSTANTS.

D. L. HUESTIS, SRI International, Molecular Physics Laboratory, Menlo Park, CA 94025.

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