Sparse Correction in Coupled Cluster Calculations
主 题: Sparse Correction in Coupled Cluster Calculations
报告人: Prof. Chao Yang (Lawrence Berkeley National Laboratory)
时 间: 2015-11-18 19:00 - 20:00
地 点: 北京国际数学研究中心全9教室
The coupled-cluster method is a highly accurate wavefunction method solving a many-body Schrodinger's equation. However, its computational complexty scales as O(N^6), where N is the number of electrons. In this talk, we discuss a technique for reducing the cost of coupled-cluster calculation by exploiting the sparsity of the correction tensor in an inexact Newton method for solving the coupled-cluster nonlinear equation.