Solving the vibrational Schrödinger equation with artificial neural networks (opens in new tab)

Artificial neural networks are universal function approximators and have shown great ability in computing the ground-state energy of the electronic Schrödinger equation, yet have not established themselves as a practical and accurate approach for solving the vibrational Schrödinger equation for realistic polyatomic molecules. Here, we propose an efficient neural-network approach for solving the vibrational Schrödinger equation and provide a detailed illustration using the methane molecule. To...