Einstein A-values and oscillator strengths of the A2Π–X2Σ+ system of CP
- 1. Department of Chemistry, University of York, Heslington, York YO10 5DD (United Kingdom)
- 2. School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom)
- 3. Department of Chemistry and Biochemistry, Old Dominion University, Norfolk, VA 23529 (United States)
Description
Line strengths for bands of the A2Π–X2Σ+ transition of CP, including the effect of rotation on the vibrational wavefunctions (the Herman–Wallis effect), have been calculated using Western's PGOPHER program and Le Roy's LEVEL program. The potential energy functions for the A2Π and X2Σ+ state were computed using spectroscopic constants obtained from high resolution spectra. The RKR potentials of the two states, and the electronic transition dipole moments of this transition calculated in a recent ab initio study have been used in Le Roy's LEVEL program to produce transition dipole moment matrix elements. The matrix elements have been converted from Hund's case (b) to (a), and then used in PGOPHER to generate a line list containing observed and calculated wavenumbers, Einstein A coefficients and f-values for 75 bands with v=0–8 for both states. The Einstein A coefficients have been used to compute radiative lifetimes for v=0–5 in the A2Π state. The line list may be useful for computing the molecular opacities of CP needed to simulate the spectra of stellar and substellar sources. - Highlights: • Line list generated for 75 bands of the A–X transition of CP. • Rotational line intensities calculated in the form of Einstein A and f-values. • Vibrational band strengths calculated as Einstein Av'v″ and fv'v″ values
Availability note (English)
Available from http://dx.doi.org/10.1016/j.jqsrt.2014.01.030Additional details
Identifiers
- DOI
- 10.1016/j.jqsrt.2014.01.030;
- PII
- S0022-4073(14)00050-8;
Publishing Information
- Journal Title
- Journal of Quantitative Spectroscopy and Radiative Transfer
- Journal Volume
- 138
- Journal Page Range
- p. 107-115
- ISSN
- 0022-4073
- CODEN
- JQSRAE
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 46018791
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- CARBON COMPOUNDS; CARBON STARS; COMPUTERIZED SIMULATION; DIPOLE MOMENTS; E1-TRANSITIONS; L CODES; LIFETIME; MATRIX ELEMENTS; OPACITY; OSCILLATOR STRENGTHS; P CODES; PHOSPHORUS COMPOUNDS; POTENTIAL ENERGY; POTENTIALS; RESOLUTION; S STATES; VIBRATIONAL STATES
- Descriptors DEC
- COMPUTER CODES; ENERGY; ENERGY LEVELS; ENERGY-LEVEL TRANSITIONS; EXCITED STATES; MAIN SEQUENCE STARS; MULTIPOLE TRANSITIONS; OPTICAL PROPERTIES; PHYSICAL PROPERTIES; SIMULATION; STARS
Optional Information
- Copyright
- Copyright (c) 2014 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.