The exact one‐electron model of molecular structure

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Abstract
The Schrödinger equation satisfied by the electron density is derived without approximation from the theory of marginal and conditional amplitudes. The equation arises from a factorization of the total N‐electron wavefunction defined by the normalization appropriate to a conditional amplitude. This Schrödinger equation is an exact dynamical model for computing effective one‐electron potentials from known N‐electron wavefunctions. Results are presented for several small molecules. They display the shell structure of atoms, and the valence structure of both ionic and covalent molecules.

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