Electron impact excitation of molecules: Calculation of the cross section using the similarity function method and ab initio data for electronic structure

Autor:	S. O. Adamson, M. A. Deminskii, L Sukhanov, Boris Potapkin, V. Astapenko, Alexander V. Eletskii, Andréi Zaitsevskii
Rok vydání:	2007
Předmět:	Cross section (physics) Oscillator strength Chemistry Ab initio General Physics and Astronomy Multireference configuration interaction Electronic structure Physical and Theoretical Chemistry Perturbation theory Atomic physics Diatomic molecule Excitation
Zdroj:	Chemical Physics Letters. 436:308-313
ISSN:	0009-2614
DOI:	10.1016/j.cplett.2007.01.057
Popis:	Electron impact excitation cross sections of dipole-allowed transitions in diatomic molecules have been evaluated using the similarity function method allowing one to express cross sections through the oscillator strength of the transition and some universal function of the reduced incident electron energy. The necessary characteristics of the molecular terms involved and transition dipoles were determined by ab initio electronic structure calculations using the multireference configuration interaction technique or relativistic multipartitioning many-body perturbation theory. The results of specific calculations performed for CO and NO in a reasonable agreement with the available experimental data and the results of comprehensive quantum-mechanical calculations.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::c377ba1768b50e66cc85ee7ec7f05e7a https://doi.org/10.1016/j.cplett.2007.01.057 Zobrazit plný text záznamu Full Text from ScienceDirect