Registered Data

[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.
  • Classification : 35Q40, 65N25, 65N35, 81Q05
  • Format : Talk at Waseda University
  • Author(s) :
    • Dexuan Zhou (Beijing Normal University)