Sparse Correction for Coupled Cluster Calculations

来源 :第八届工业与应用数学国际大会 | 被引量 : 0次 | 上传用户：yatai1980

【摘要】

：

　　The coupled-cluster method is a highly accurate wavefunction method solving a many-body Schrodinger's equation.However,its computational complexity scales a

【作者】

：

YangChao;

【机构】

：

Lawrence Berkeley National Laboratory

【出处】

：

第八届工业与应用数学国际大会

【发表日期】

：

2015年期

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　　The coupled-cluster method is a highly accurate wavefunction method solving a many-body Schrodinger's equation.However,its computational complexity scales as O(N6),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.

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Sparse Correction for Coupled Cluster Calculations

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