Franck Condon Factors and R-Centeroids for Six Diatomic Molecules
Date of Award
Master of Science (MS)
James L. Cox
Call Number for Print
Special Collections LD4331.P48F39
The Franck Condon factor is defined as the square of the overlap integral and is so named because of its ties with the Franck Condon Principle. The r-centroid is the internuclear separation associated with the electronic transition of the diatomic molecule. The physical meaning of these integrals is discussed. Two methods for construction of the wavefunctions are presented. Both methods employ the Morse Potential Energy function. The first method calculates the integrals using the analytic wavefunction of Morse and the second method has numerically constructed wavefunct!ons. The twelve transitions and six diatomic molecules studied include; B 2Σ+ to X 2π½ for AsO, A to X transition for NO+, C 3πu to B πg for N2 , A 2πi to X 2Σ+ for CO+, A 2π to X 2Σ for MgF and D 2Σ+ to X 2Σ+ for SrH. The results are compared with the published results of other methods.
In Copyright. URI: http://rightsstatements.org/vocab/InC/1.0/ This Item is protected by copyright and/or related rights. You are free to use this Item in any way that is permitted by the copyright and related rights legislation that applies to your use. For other uses you need to obtain permission from the rights-holder(s).
Fazio, Patricia M..
"Franck Condon Factors and R-Centeroids for Six Diatomic Molecules"
(1979). Master of Science (MS), Thesis, Physics, Old Dominion University, DOI: 10.25777/t2vn-y535