In this paper, a new Wolfe-type line search and a new Armijo-type line searchare proposed, and some global convergence properties of a three-term conjugate gradient method withthe two line searches are proved.
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
基金This research is supported by the National Natural Science Foundation of China(10171055).
文摘In this paper, a new Wolfe-type line search and a new Armijo-type line searchare proposed, and some global convergence properties of a three-term conjugate gradient method withthe two line searches are proved.
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.
