Einstein A coefficients and absolute line intensities for the E2Π-X2Σ+ transition of CaH
- 1. Department of Chemistry, University of York, Heslington, York YO10 5DD (United Kingdom)
- 2. Department of Chemistry, University of Arizona, Tucson, AZ 85721 (United States)
- 3. School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom)
Description
Einstein A coefficients and absolute line intensities have been calculated for the E2Π-X2Σ+ transition of CaH. Using wavefunctions derived from the Rydberg-Klein-Rees (RKR) method and electronic transition dipole moment functions obtained from high-level ab initio calculations, rotationless transition dipole moment matrix elements have been calculated for all 10 bands involving v′=0,1 of the E2Π state and v″=0,1,2,3,4 of the X2Σ state. The rotational line strength factors (Hönl-London factors) are derived for the intermediate coupling case between Hund's case (a) and (b) for the E2Π-X2Σ+ transition. The computed transition dipole moments and the spectroscopic constants from a recent study [Ram et al., Journal of Molecular Spectroscopy 2011;266:86-91] have been combined to generate line lists containing Einstein A coefficients and absolute line intensities for 10 bands of the E2Π-X2Σ+ transition of CaH for J-values up to 50.5. The absolute line intensities have been used to determine a rotational temperature of 778±3 °C for the CaH sample in the recent study.
Availability note (English)
Available from http://dx.doi.org/10.1016/j.jqsrt.2011.09.010Additional details
Identifiers
- DOI
- 10.1016/j.jqsrt.2011.09.010;
- PII
- S0022-4073(11)00332-3;
Publishing Information
- Journal Title
- Journal of Quantitative Spectroscopy and Radiative Transfer
- Journal Volume
- 113
- Journal Issue
- 1
- Journal Page Range
- p. 67-74
- ISSN
- 0022-4073
- CODEN
- JQSRAE
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 44008609
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- CALCIUM; CALCIUM HYDRIDES; DIPOLE MOMENTS; INTERMEDIATE COUPLING; MOLECULES; RYDBERG-KLEIN-REES METHOD; SIMULATION; SPECTROSCOPY; WAVE FUNCTIONS
- Descriptors DEC
- ALKALINE EARTH METAL COMPOUNDS; ALKALINE EARTH METALS; CALCIUM COMPOUNDS; CALCULATION METHODS; COUPLING; ELEMENTS; FUNCTIONS; HYDRIDES; HYDROGEN COMPOUNDS; METALS
Optional Information
- Copyright
- Copyright (c) 2011 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.