The locally optimal block preconditioned 4-d conjugate gradient method(LOBP4dC G) for the linear response eigenvalue problem was proposed by Bai and Li(2013) and later was extended to the generalized linear response e...The locally optimal block preconditioned 4-d conjugate gradient method(LOBP4dC G) for the linear response eigenvalue problem was proposed by Bai and Li(2013) and later was extended to the generalized linear response eigenvalue problem by Bai and Li(2014). We put forward two improvements to the method: A shifting deflation technique and an idea of extending the search subspace. The deflation technique is able to deflate away converged eigenpairs from future computation, and the idea of extending the search subspace increases convergence rate per iterative step. The resulting algorithm is called the extended LOBP4 dC G(ELOBP4dC G).Numerical results of the ELOBP4 dC G strongly demonstrate the capability of deflation technique and effectiveness the search space extension for solving linear response eigenvalue problems arising from linear response analysis of two molecule systems.展开更多
In this paper, we propose a multilevel preconditioner for the Crouzeix-Raviart finite element approximation of second-order elliptic partial differential equations with discontinuous coefficients. Since the finite ele...In this paper, we propose a multilevel preconditioner for the Crouzeix-Raviart finite element approximation of second-order elliptic partial differential equations with discontinuous coefficients. Since the finite element spaces are nonnested, weighted intergrid transfer operators, which are stable under the weighted L2 norm, are introduced to exchange information between different meshes. By analyzing the eigenvalue distribution of the preconditioned system, we prove that except a few small eigenvalues, all the other eigenvalues are bounded below and above nearly uniformly with respect to the jump and the mesh size. As a result, we get that the convergence rate of the preconditioned conjugate gradient method is quasi-uniform with respect to the jump and the mesh size. Numerical experiments are presented to confirm our theoretical analysis.展开更多
基金supported by National Science Foundation of USA(Grant Nos.DMS1522697,CCF-1527091,DMS-1317330 and CCF-1527091)National Natural Science Foundation of China(Grant No.11428104)
文摘The locally optimal block preconditioned 4-d conjugate gradient method(LOBP4dC G) for the linear response eigenvalue problem was proposed by Bai and Li(2013) and later was extended to the generalized linear response eigenvalue problem by Bai and Li(2014). We put forward two improvements to the method: A shifting deflation technique and an idea of extending the search subspace. The deflation technique is able to deflate away converged eigenpairs from future computation, and the idea of extending the search subspace increases convergence rate per iterative step. The resulting algorithm is called the extended LOBP4 dC G(ELOBP4dC G).Numerical results of the ELOBP4 dC G strongly demonstrate the capability of deflation technique and effectiveness the search space extension for solving linear response eigenvalue problems arising from linear response analysis of two molecule systems.
基金supported by National Natural Science Foundation of China (Grant Nos.10871100 and 11071124)
文摘In this paper, we propose a multilevel preconditioner for the Crouzeix-Raviart finite element approximation of second-order elliptic partial differential equations with discontinuous coefficients. Since the finite element spaces are nonnested, weighted intergrid transfer operators, which are stable under the weighted L2 norm, are introduced to exchange information between different meshes. By analyzing the eigenvalue distribution of the preconditioned system, we prove that except a few small eigenvalues, all the other eigenvalues are bounded below and above nearly uniformly with respect to the jump and the mesh size. As a result, we get that the convergence rate of the preconditioned conjugate gradient method is quasi-uniform with respect to the jump and the mesh size. Numerical experiments are presented to confirm our theoretical analysis.
