Searching for saddle points of potential
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Quapp, Wolfgang; Hirsch, Michael; Imig, Olaf; Heidrich, Dietmar
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Article
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1998
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John Wiley and Sons
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English
⚖ 468 KB
👁 1 views
using the restricted Hartree᎐Fock RHF method and the STO-3G basis set. Forty-nine minima and saddle points of different indices were found. At least seven stationary points representing bonded structures were detected in addition to those located using another search algorithm on the same level of t