Title of article
Ab initio potential energy curves and transition dipole moments for the low-lying states of CH+
Author/Authors
Biglari، نويسنده , , Zeinab and Shayesteh، نويسنده , , Alireza and Maghari، نويسنده , , Ali، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2014
Pages
8
From page
22
To page
29
Abstract
Ab initio potential energy curves and transition dipole moments have been calculated for the X1Σ+, A1Π, B1Δ, C1Σ+, D1Π, 31Σ+, a3Π, b3Σ−, c3Σ+, d3Π, 23Σ−, 15Σ− and 15Π states of CH+ using the multi-reference configuration interaction method with large active space and basis sets. Accurate transition dipole moments have been computed from 1.0a0 to 8.0a0, and were used to calculate average lifetimes of excited state vibrational levels. These transition dipole moments can be used to calculate the Einstein A coefficients for all rovibronic transitions of CH+ appearing in stellar spectra.
Keywords
Lifetimes , Transition dipole moments , CH+ ion , MRCI potential energy curves
Journal title
Computational and Theoretical Chemistry
Serial Year
2014
Journal title
Computational and Theoretical Chemistry
Record number
2287136
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