Valence level eigenvalues, ground-state

Table II. Ground-State Valence Level Eigenvalues, Ionization Energies, and Charge Distributions for Hg2 and ReHg2 ...

Table III. Ground State Valence Level Eigenvalues...

Clearly, the monopole relaxation and ground-state correlation shifts approximately cancel, and the HF MO eigenvalues should lead to reasonable binding energies for the valence levels provided there were no other important interaction mechanisms. 

Fig. 4.8 Exciton-breather, covalent channel, (K, K ), evolving from the excited state of a chain of 198 sites ground state geometry, but one electron excited from the highest level of the valence band to the lowest level of the conduction band. To break the symmetry, a small electric field is applied (potential drop to the right). Time evolution of S, (strobelight every 10 Ar). Time evolution of eigenvalues (both intergap states singly occupied) and of S, of central bonds.

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