Ab initio simulation of excited-state potential energy surfaces with transferable deep quantum Monte Carlo
The time-independent Schrödinger equation $$\hat{H}{\Psi }^{i}={E}^{i}{\Psi }^{i}\quad {\Psi }^{i}\in {{\mathcal{H}}}^{-}\,,$$ (2) defines the electronic states of a molecule…
