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Title: Renner-Teller modelling of recent experimental spectra of H{sub 2}S{sup +}

Abstract

Recently there has been a renewal of interest in the spectroscopy and dynamics of the formation and fragmentation of the hydrogen sulphide ion, including. rotationally resolved spectra of higher vibrational states of the ∼A{sup 2}A{sub 1}−∼X{sup 2}B{sub 1} system than were obtained previously, and a comprehensive imaging study of the photo-fragmentation routes of highly excited H{sub 2}S{sup +}. In collaboration with Ch. Jungen and A. Alijah I have extended our previous l basis approach to the calculation of the effects of orbital angular momentum in H{sub 2}S{sup +} to include the stretch - bender extensions, with the options of using either the K- or l basis. This new code is being used to calculate the complicated orbital angular momentum and spin-orbit coupling effects responsible for the ro-vibronic pattern measured in some of the new experimental results.

Authors:
 [1]
  1. Department of Physics, SUPA, University of Strathclyde, John Anderson Building, 107 Rottenrow, Glagow G4 0NG, Scotland (United Kingdom)
Publication Date:
OSTI Identifier:
22390919
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1642; Journal Issue: 1; Conference: ICCMSE-2010: International Conference of Computational Methods in Sciences and Engineering 2010, Kos (Greece), 3-8 Oct 2010; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; COMPUTERIZED SIMULATION; HYDROGEN SULFIDES; L-S COUPLING; MOLECULAR IONS; ORBITAL ANGULAR MOMENTUM; PHOTON-ION COLLISIONS; ROTATIONAL STATES; VIBRATIONAL STATES

Citation Formats

Duxbury, Geoffrey. Renner-Teller modelling of recent experimental spectra of H{sub 2}S{sup +}. United States: N. p., 2015. Web. doi:10.1063/1.4906706.
Duxbury, Geoffrey. Renner-Teller modelling of recent experimental spectra of H{sub 2}S{sup +}. United States. doi:10.1063/1.4906706.
Duxbury, Geoffrey. Thu . "Renner-Teller modelling of recent experimental spectra of H{sub 2}S{sup +}". United States. doi:10.1063/1.4906706.
@article{osti_22390919,
title = {Renner-Teller modelling of recent experimental spectra of H{sub 2}S{sup +}},
author = {Duxbury, Geoffrey},
abstractNote = {Recently there has been a renewal of interest in the spectroscopy and dynamics of the formation and fragmentation of the hydrogen sulphide ion, including. rotationally resolved spectra of higher vibrational states of the ∼A{sup 2}A{sub 1}−∼X{sup 2}B{sub 1} system than were obtained previously, and a comprehensive imaging study of the photo-fragmentation routes of highly excited H{sub 2}S{sup +}. In collaboration with Ch. Jungen and A. Alijah I have extended our previous l basis approach to the calculation of the effects of orbital angular momentum in H{sub 2}S{sup +} to include the stretch - bender extensions, with the options of using either the K- or l basis. This new code is being used to calculate the complicated orbital angular momentum and spin-orbit coupling effects responsible for the ro-vibronic pattern measured in some of the new experimental results.},
doi = {10.1063/1.4906706},
journal = {AIP Conference Proceedings},
number = 1,
volume = 1642,
place = {United States},
year = {Thu Jan 22 00:00:00 EST 2015},
month = {Thu Jan 22 00:00:00 EST 2015}
}