We have calculated the lowest 900 vibrational energy levels and wave functions for the quartet state of The equilibrium geometry of the trimer is triangular, but the calculations include many states that lie above the barrier to linearity. Most of the high-lying states are irregular, but there are a few relatively localized states embedded in the irregular bath. The localized modes observed include a “horseshoe” mode and a symmetric stretch centered on the linear transition state. The density of states and couplings are such that in most cases the “horseshoe” character is spread over several bath states, while the symmetric stretch states exist in a purer form. The localized states could be observed in laser-induced fluorescence, stimulated-emission pumping or ion photodetachment spectroscopy from a state with a linear equilibrium geometry.
Skip Nav Destination
Article navigation
15 February 2000
Research Article|
February 15 2000
Regular and irregular vibrational states: Localized anharmonic modes and transition-state spectroscopy of Available to Purchase
Nicholas J. Wright;
Nicholas J. Wright
Department of Chemistry, University of Durham, South Road, Durham, DH1 3LE, United Kingdom
Search for other works by this author on:
Jeremy M. Hutson
Jeremy M. Hutson
Department of Chemistry, University of Durham, South Road, Durham, DH1 3LE, United Kingdom
Search for other works by this author on:
Nicholas J. Wright
Department of Chemistry, University of Durham, South Road, Durham, DH1 3LE, United Kingdom
Jeremy M. Hutson
Department of Chemistry, University of Durham, South Road, Durham, DH1 3LE, United Kingdom
J. Chem. Phys. 112, 3214–3219 (2000)
Article history
Received:
November 10 1999
Accepted:
November 24 1999
Citation
Nicholas J. Wright, Jeremy M. Hutson; Regular and irregular vibrational states: Localized anharmonic modes and transition-state spectroscopy of . J. Chem. Phys. 15 February 2000; 112 (7): 3214–3219. https://doi.org/10.1063/1.480905
Download citation file:
Pay-Per-View Access
$40.00
Sign In
You could not be signed in. Please check your credentials and make sure you have an active account and try again.
Citing articles via
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.
Related Content
The vibrational energy pattern in acetylene (VI): Inter- and intrapolyad structures
J. Chem. Phys. (November 2000)
Regular and irregular vibrational states: Localized anharmonic modes in Ar 3
J. Chem. Phys. (January 1999)
Photonic crystal distributed feedback quantum cascade lasers with 12 W output power
Appl. Phys. Lett. (July 2009)
Automatic Tuning of a Superconducting Cavity Using Optical Feedback
J. Appl. Phys. (April 1969)
Quantum wave packet dynamics of N ( D 2 ) + H 2 reaction
J. Chem. Phys. (December 2007)