Extracting elements of molecular structure from the all-particle wave function

Structural information is extracted from the all-particle (non-Born-Oppenheimer) wave function by calculating radial and angular densities derived from n-particle densities. As a result, one- and two-dimensional motifs of classical molecular structure can be recognized in quantum mechanics. Numerical examples are presented for three- (H(-), Ps(-), H(2) (+)), four- (Ps(2), H(2)), and five-particle (H(2)D(+)) systems.