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Nuclear dynamics total molecular wave function

In this chapter, we discussed the permutational symmetry properties of the total molecular wave function and its various components under the exchange of identical particles. We started by noting that most nuclear dynamics treatments carried out so far neglect the interactions between the nuclear spin and the other nuclear and electronic degrees of freedom in the system Hamiltonian. Due to... [Pg.609]

The standard theoretical treatment of chemical reaction dynamics is based on the separation of the total molecular motion into fast and slow parts. The fast motion corresponds to the motion of the electrons and the slow motion corresponds to the motion of the nuclei. The theoretical foundation for the separation of the electronic and nuclear motion was first developed by Born and Oppenheimer. In this approach, the total molecular wave function is expanded in terms of a set of electronic eigenfunctions which depend parametrically on the nuclear coordinates. The expansion coefficients are the... [Pg.521]

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See also in sourсe #XX -- [ Pg.661 , Pg.662 , Pg.663 , Pg.664 , Pg.665 , Pg.666 , Pg.667 , Pg.674 , Pg.675 , Pg.676 , Pg.677 ]



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