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
Link To Document :
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