[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.
