[00460] A Multigrid Method for Many-Electron Schrodinger Equations with ACE
Session Time & Room : 3D (Aug.23, 15:30-17:10) @E606
Type : Contributed Talk
Abstract : We parameterize the many-electron wave functions by atomic cluster expansion $($ACE$)$ approach and calculate ground-state energies and electron densities of some molecule systems within the variational Monte Carlo framework. Compared with the neural-network-based representations, the novelty of our method lies in $($i$)$ a convenient and accurate linear polynomial expansion; $($ii$)$ a hierarchical structure that applies naturally to a multigrid variation; and $($iii$)$ possibly revealing the correlation of the system by increasing the body-order.