Question
Can a predictive-coding update procedure be used to adjust an electron-density estimate toward a lower model energy?
Approach
The experiment combines a density representation with an energy functional and iterative updates. The functional includes modified Thomas–Fermi, Hartree, and local-density exchange terms.
Demonstration scripts apply the procedure to molecular examples and record the resulting calculations.
Limits
Several terms are adjusted by hand. This makes the implementation a simplified numerical experiment, rather than a validated quantum-chemistry calculation.
A lower value of this objective does not establish physical accuracy. That would require a justified functional, convergence analysis, and comparison with appropriate reference calculations.