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Huzinaga-Arnau method

Here the iare the RHe+ molecular orbitals occupied in the ground state, and the if/[p are the MOs obtained by the Huzinaga-Arnau method in the case... [Pg.304]

In order to make allowance for the influence of electron correlation on the probability of the / -decay-induced excitation of a molecule, let us use the configuration interaction method. We will consider the configurations that take account only of the single and double electron excitations into the virtual excited orbitals. For the latter we will use the orbitals obtained by the Huzinaga-Arnau method (see above). The wave function of the ground state of the parent molecule is... [Pg.307]


See other pages where Huzinaga-Arnau method is mentioned: [Pg.315]    [Pg.324]   
See also in sourсe #XX -- [ Pg.307 , Pg.325 ]




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