WH. VIBRONIC INTERACTIONS

WEDNESDAY, JUNE 14, 2000 - 1:30PM

Room: 1015 McPHERSON LAB

Chair: WOLFGANG ERNST, Pennsylvania State University, University Park, PA

WH01 Invited Talk 30min1:30

ORBITAL ANGULAR MOMENTUM IN LINEAR MOLECULES CONTAINING TRANSITION METALS.

ANTHONY J. MERER, Department of Chemistry, University of British Columbia, 2036 Main Mall, Vancouver, B.C. V6T 1Z1, Canada.

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WH02			15min2:05

A VARIATIONAL TREATMENT OF THE RENNER-TELLER EFFECT.

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

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WH03			15min2:22

SEEING MOLECULES USING COULOMB EXPLOSION IMAGING.

P. R. BUNKER AND G. OSMANN, Steacie Institute for Molecular Sciences, National Research Council of Canada, Ottawa, Ontario K1A 0R6, Canada; W. P. KRAEMER, Max Planck Institute for Astrophysics, D-85740 Garching, Germany.; PER JENSEN, FB 9 - Theoretische Chemie, Bergische Universität - Gesamthochschule Wuppertal, D-42097 Wuppertal, Germany..

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WH04			15min2:39

COMPARATIVE ANALYSIS OF THE RENNER EFFECT IN THE A ³

STATE OF CCO, CSiO, SiCO, AND SiSiO WITH EQUATION OF MOTION COUPLED CLUSTER THEORY (EOM-CCSD).

SHAWN T. BROWN, NICOLAS D. K. PETRACO, YUKIO YAMAGUCHI AND HENRY F. SCHAEFER, Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602.

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WH05			15min2:56

FOURIER TRANSFORM SPECTRA OF COPPER DICHLORIDE : RENNER-TELLER EFFECT IN ROVIBRONIC LEVELS OF THE GROUND STATE.

P. CROZET, E. BOSCH, A. J. ROSS, Laboratoire de Spectrométrie Ionique et Moléculaire (UMR 5579 CNRS), Bâtiment 205, Université Lyon I, Campus la Doua, 69622 Villeurbanne Cedex, France; AND J. M. BROWN, Physical and Theoretical Chemistry Laboratory, Oxford University, South Parks Road, Oxford OX1 3QZ, England.

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INTERMISSION

WH06	Invited Talk		30min3:30

MULTI-MODE DYNAMICAL JAHN-TELLER EFFECTS IN MOLECULAR ELECTRONIC SPECTRA AND INTERNAL CONVERSION DYNAMICS.

HORST KÖPPEL, Theoretical Chemistry, University of Heidelberg, INF 229, D-69120 Heidelberg, Germany.

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WH07			15min4:05

RENNER-TELLER COUPLING IN OPEN-SHELL COMPLEXES: THE ROVIBRONIC STRUCTURE OF CH(A² Delta

)-Ne.

GALINA KERENSKAYA, ALEXEY L. KALEDIN AND MICHAEL C. HEAVEN, Department of Chemistry, Emory University, Atlanta, GA 30322.

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WH08			10min4:22

LARGE-SCALE COUPLED CLUSTER CALCULATIONS FOR THE TWO RENNER-TELLER COMPONENTS OF HCCO.

P. BOTSCHWINA, Institut für Physikalische Chemie, Universität Göttingen, Tammannstrasse 6, D-37077 Göttingen, Germany.

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WH09			15min4:34

THE RENNER-TELLER EFFECT FOR THE ²

ELECTRONIC EXCITED STATE OF MgCN; AN AB INITIO MOLECULAR ORBITAL PREDICTION.

ERIKA ODAKA, TETSUYA TAKETSUGU, TSUNEO HIRANO, Department of Chemistry, Faculty of Science, Ochanomizu University, Tokyo 112-8610, Japan; UMPEI NAGASHIMA, National Institute for Advanced Interdisciplinary Research, Ibaraki 305-8562, Japan.

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