Sparse Correction in Coupled Cluster Calculations
Time: 2015-11-18
Published By:
Speaker(s): Prof. Chao Yang, Lawrence Berkeley National Laboratory
Time: 00:00-00:00 November 18, 2015
Venue: Quan 9
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.
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.
