Browsing Τμήμα Φυσικής / Department of Physics by Subject "Hartree Fock calculations"
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Article
Comparative study of perturbative methods for computing electron transfer tunneling matrix elements with a nonorthogonal basis set
(2006)The authors consider the problem of computing tunneling matrix elements for bridge-mediated electron transfer reactions using the Löwdin [J. Math. Phys. 3, 969 (1962)