A Defect Correction Scheme for Finite Element Eigenvalues with Applications to Quantum Chemistry
A Defect Correction Scheme for Finite Element Eigenvalues with Applications to Quantum Chemistry
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DOI：
10.1137/040614013
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发表时间：
2006
期刊：
影响因子：
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通讯作者：
L. Shen;Aihui Zhou
中科院分区：
文献类型：
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作者：
L. Shen;Aihui Zhou
为了对自伴椭圆本征值产生高精度的近似，我们提出了一种有限元缺陷校正方案。理论和数值实验证明了该算法的有效性。还介绍了它在计算量子化学中令人满意的应用。
To produce highly accurate approximations for self-adjoint elliptic eigenvalues, we propose a finite element defect correction scheme. Its efficiency is proven by theoretical and numerical evidence. Very satisfying applications in computational quantum chemistry are also presented.