FB. THEORY

FRIDAY, JUNE 16, 2000 - 8:30AM

Room: 1009 SMITH LAB

Chair: JEAN BLAUDEAU, The Ohio State University, Columbus, OH

FB01 10min8:30

INTERACTIVE COMPUTER PROGRAM FOR COMPUTER-ASSISTED ASSIGNMENT OF MOLECULAR SPECTRA.

MITCHELL STEPHEN E. AND JOHN W. FARLEY, Department of Physics, University of Nevada, Las Vegas, NV, 89154.

FB02			15min8:42

BASIS SETS IN CORRELATED EFFECTIVE POTENTIAL CALCULATIONS.

P. A. CHRISTIANSEN, Department of Chemistry, Clarkson University, Potsdam, New York 13699-5810.

[HTML] [GIF] [PS] [PDF] [DVI]

FB03			15min8:59

A FIRST PRINCIPLE EFFECTIVE HAMILTONIAN FOR INCLUDING NON-ADIABATIC EFFECTS FOR H₂⁺ AND HD⁺.

DAVID W. SCHWENKE, Mail Stop 230-3, NASA Ames Research Center, Moffett Field, CA 94035-1000.

[HTML] [GIF] [PS] [PDF] [DVI]

FB04			15min9:16

THE FORBIDDEN ROTATION AND ROTATION-VIBRATION SPECTRUM OF H₂⁺.

P. R. BUNKER, Steacie Institute for Molecular Sciences, National Research Council of Canada, Ottawa, Ontario K1A 0R6, Canada; R. E. MOSS, Department of Chemistry, University of Southampton, Southampton SO17 1BJ, U.K..

[HTML] [GIF] [PS] [PDF] [DVI]

FB05			15min9:33

CALCULATIONS OF THE H₃⁺ ROVIBRATIONAL SPECTRUM TO LEVELS NEAR THE BARRIER TO LINEARITY.

JAMES K. G. WATSON, Steacie Institute for Molecular Sciences, National Research Council, Ottawa, Ontario, Canada K1A OR6.

[HTML] [GIF] [PS] [PDF] [DVI]

FB06			15min9:50

ELECTRONIC STRUCTURES AND OPTICAL PROPERTIES OF OPEN AND CAPPED CARBON NANOTUBES.

W. Z. LIANG, S. YOKOJIMA AND G. H. CHEN, Department of Chemistry, The University of Hong Kong,Pokfulam Road, Hong Kong.

[HTML] [GIF] [PS] [PDF] [DVI]

INTERMISSION

FB07			10min10:30

METHODS OF SCALING QUANTUM MECHANICAL MOLECULAR FORCE FIELDS.

YURII N. PANCHENKO, Laboratory of Molecular Spectroscopy, Division of Physical Chemistry, Department of Chemistry, M. V. Lomonosov Moscow State University, 119899 Moscow, Vorobiovy gory, Russian Federation, C. I. S.

[HTML] [GIF] [PS] [PDF] [DVI]

FB08			10min10:42

TRANSFERABILITY OF SCALE FACTORS VERSUS TRANSFERABILITY OF FORCE CONSTANTS.

YURII N. PANCHENKO, Laboratory of Molecular Spectroscopy, Division of Physical Chemistry, Department of Chemistry, M. V. Lomonosov Moscow State University, Vorobiovy gory, Moscow 119899, Russian Federation, C. I. S.

[HTML] [GIF] [PS] [PDF] [DVI]

FB09	Post-deadline Abstract		15min10:54

UNDULATING POTENTIAL ENERGY SURFACES FOR THE RYDBERG STATES OF SMALL MOLECULES CONTAINING A METAL ATOM.

N. GEUM, Department of Chemistry, Dankook University, Cheonan, 330-714, South Korea; G.-H. JEUNG, Laboratoire Aimé Cotton (CNRS UPR3321) and ASCI (CNRS UPR9029, Bât. 505-506, Campus d'Orsay, 91405 Orsay, France.

[HTML] [GIF] [PS] [PDF] [DVI]

FB10	Post-deadline Abstract		15min11:11

THE STUDY OF THE MULTIPHOTONIC EXCITES FOR THE DIATOMIC MOLECULAR DISSOCIATION AND THE QUANTUM FLUCTUATIONS THEORY.

SILVESTRU POPESCU AND STEFAN CARCU, Research Institute for Electrical Engineering - ICPE Bistrita Subsidiary Str. Parcului, No. 7, Bistrita Ro - 4400 Romania.

[HTML] [GIF] [PS] [PDF] [DVI]