Long sought out by the chemical community is a function that can accurately solve for free energies in constant time and with a constant number of terms. Such a function would make optimization of the schrödinger equation by variational theorem a method of the past. Providing such a function would also reveal the full surface of configurational chemical energy space, specifying the Gibb’s free energy for the construction of any molecular geometry. This work presents a first version of that function, the method by which it was constructed, and how it may be improved.

Discovered functional form for free energy

ACS Fall 2021

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