Theoretical study of the dipole moment of oxygen monofluoride (OF) |
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| Authors: | Stephen R Langhoff Charles W Bauschlicher Harry Partridge |
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| Institution: | NASA Ames Research Center, Moffett Field, California 94305, USA;University of Southern California, Los Angeles, California 90007, USA |
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| Abstract: | Theoretical X2II potentials and dipole moment functions for OF are presented at the CASSCF, externally contracted Cl, and MRCI(SD) levels using DZP and extended gaussian basis sets. The best theoretical results (with experiment in parentheses) are μν =0 = ?0.0089 (?0.0043) and μν=1 = ?0.0318 (?0.0267) D, where the minus sign implies O+F?. |
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