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[00823] Weighted Trace-Penalty Minimization for Full Configuration Interaction

  • Session Time & Room : 4D (Aug.24, 15:30-17:10) @E508
  • Type : Contributed Talk
  • Abstract : A novel unconstrained optimization model named weighted trace-penalty minimization (WTPM) is proposed to address the extreme eigenvalue problem arising from the Full Configuration Interaction (FCI) method. The coordinate descent method is adapted to WTPM and results in WTPM-CD method. With the sparse features of both FCI matrices and the global minimizers in mind, the reduction of computational and storage costs shows the efficiency of the algorithm.
  • Classification : 65F15, Electron Structure Calculation
  • Format : Talk at Waseda University
  • Author(s) :
    • Weiguo Gao (Fudan University)
    • Yingzhou Li (Fudan University)
    • Hanxiang Shen (Fudan University)