Abstract
Trial electron density functions have some conceptual and computational advantages over wave functions. The properties of some simple density functions for H+2 and H2 are examined. It appears that for a diatomic molecule a good density function would be given by ρ = N(A2 + B2), in which A and B are short sums of s, p, d, etc. orbitals centered on each nucleus. Some examples are also given for electron densities that are appropriate for excited states.
Keywords: chemical bonding, excited states
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