RJ. THEORY

THURSDAY, JUNE 21, 2012 - 1:30PM

Room: 2015 MCPHERSON LAB

Chair: PETER BOTSCHWINA, University of Goettingen, Goettingen, Germany

RJ01 INVITED TALK 30min1:30

INTENSITIES OF FUNDAMENTAL AND OVERTONE VIBRATIONAL TRANSITIONS.

HENRIK G. KJAERGAARD, Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark .

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

RJ02			15min2:05

HIGH-ACCURACY POTENTIALS FOR VAN DER WAALS SYSTEMS.

RICHARD DAWES, Missouri University of Science and Technology, Rolla, MO 65409, USA; XIAO-GANG WANG, JAMES BROWN, TUCKER CARRINGTON JR., Queen's University, Kingston, Ontario, K7L 3N6 Canada.

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

RJ03			15min2:22

THE AMMONIA DIMER REVISITED.

RICHARD DAWES, Missouri University of Science and Technology, Rolla, MO 65409-0010; AD VAN DER AVOIRD, Radboud University, 6525 AJ Nijmegen, The Netherlands.

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

RJ04			15min2:39

RESONANCE AND REVIVALS I. QUANTUM ROTOR AND INFINITE-WELL DYNAMICS.

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

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

RJ05			15min2:56

RESONANCE AND REVIVALS II. MORSE OSCILLATOR AND DOUBLE MORSE WELL DYNAMICS.

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

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

INTERMISSION

RJ06			15min3:30

MULTI-VALUED VERSUS SINGLE-VALUED LARGE-AMPLITUDE BENDING-TORSIONAL-ROTATIONAL COORDINATE SYSTEMS FOR SIMULTANEOUSLY TREATING TRANS-BENT AND CIS-BENT ACETYLENE IN ITS S₁ EXCITED ELECTRONIC STATE.

JON T. HOUGEN, Sensor Sciences Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8441, USA.

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

RJ07			15min3:47

USING FIXED-NODE DIFFUSION MONTE CARLO TO PROBE ROTATION-VIBRATION COUPLING IN HIGHLY FLUXIONAL ASYMMETRIC TOP MOLECULES.

ANDREW S. PETIT, BETHANY A. WELLEN AND ANNE B. MCCOY, Department of Chemistry, The Ohio State University, Columbus, OH 43210.

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

RJ08			15min4:04

EXTENSIONS OF FIXED-NODE DIFFUSION MONTE CARLO TO THE STUDY OF THE ROTATIONALLY EXCITED STATES OF H₂D⁺.

BETHANY A. WELLEN, ANDREW S. PETIT AND ANNE B. MCCOY, Department of Chemistry, The Ohio State University, Columbus, OH 43210.

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

RJ09			15min4:21

EXPLORING ROTATION-VIBRATION COUPLING IN HIGHLY FLUXIONAL MOLECULES USING
SURFACE HOPPING DIFFUSION MONTE CARLO.

ANDREW S. PETIT AND ANNE B. MCCOY, Department of Chemistry, The Ohio State University, Columbus, OH 43210.

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

RJ10			10min4:38

BOUND AND SCATTERING STATE SOLUTIONS OF SCHRODINGER EQUATION FOR ASYMMETRIC WOODS SAXON POTENTIAL.

N. CANDEMIR, Physics Department, Science Faculty, Anadolu University, Eskisehir, 26470, Turkey.

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