The F molecule and the corresponding dynamic processes dealing with electron scattering on the neutral F2 species have been the subject of many theoretical and experimental investigations in the past. In the context of the Born-Oppenheimer approximation, one of the best theoretical descriptions of the electronic states involves the use of complex basis functions together with configuration interaction (CI) methods. In this work, multireference CI calculations using the complex basis function method have been carried out for the autoionizing ground state of the F molecule. Potential curves and vibrational levels have been obtained for the ground and various excited states of both F2 and F, as well as the variation of the line width of the anionic ground state for the bond distance region in which it is metastable. Cross sections for the dissociative electron attachment process e− + F2 → F → F + F− have also been computed within the framework of the boomerang model, and good agreement with available experimental data has been found. In addition, some calculations for the process of vibrational excitation are included which also give good agreement with experiment. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2012
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