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Homonuclear molecules, permutational electronic wave function

As was shown in the preceding discussion (see also Sections Vin and IX), the rovibronic wave functions for a homonuclear diatomic molecule under the permutation of identical nuclei are symmetric for even J rotational quantum numbers in and E electronic states antisymmeUic for odd J values in and E elecbonic states symmetric for odd J values in E and E electronic states and antisymmeteic for even J values in Ej and E+ electeonic states. Note that the vibrational ground state is symmetric under pemrutation of the two nuclei. The most restrictive result arises therefore when the nuclear spin quantum number of the individual nuclei is 0. In this case, the nuclear spin function is always symmetric with respect to interchange of the identical nuclei, and hence only totally symmeUic rovibronic states are allowed since the total wave function must be symmetric for bosonic systems. For example, the nucleus has zero nuclear spin, and hence the rotational levels with odd values of J do not exist for the ground electronic state f EJ") of Cr. [Pg.575]

Next, we address some simple cases, begining with homonuclear diatomic molecules in 1S electronic states. The rotational wave functions are in this case the well-known spherical harmonics for even J values, yr(R) is symmetric under permutation of the identical nuclei for odd J values, y,.(R) is antisymmetric under the same permutation. A similar statement applies for any D.yjh type molecule. [Pg.684]

As was shown in the preceding discussion (see also Sections VIII and IX), the rovibronic wave functions for a homonuclear diatomic molecule under the permutation of identical nuclei are symmetric for even J rotational quantum numbers in and electronic states antisymmetric for odd J values in and electronic states symmetric for odd J values in S7 and electronic... [Pg.683]


See other pages where Homonuclear molecules, permutational electronic wave function is mentioned: [Pg.572]    [Pg.680]    [Pg.680]   
See also in sourсe #XX -- [ Pg.680 , Pg.681 ]




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Electron functionalization

Electronic wave function

Electronic wave function, permutational

Functional molecules

Homonuclear

Homonuclear molecules, permutational

Homonuclear, molecules

Molecule electronic

Molecule function

Permutability

Permutation

Permutational

Permute

Permuted

Waves electrons

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