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Title: Solving a Class of Nonlinear Eigenvalue Problems by Newton's Method

Technical Report ·
DOI:https://doi.org/10.2172/965775· OSTI ID:965775

We examine the possibility of using the standard Newton's method for solving a class of nonlinear eigenvalue problems arising from electronic structure calculation. We show that the Jacobian matrix associated with this nonlinear system has a special structure that can be exploited to reduce the computational complexity of the Newton's method. Preliminary numerical experiments indicate that the Newton's method can be more efficient for small problems in which a few smallest eigenpairs are needed.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
Computational Research Division
DOE Contract Number:
DE-AC02-05CH11231
OSTI ID:
965775
Report Number(s):
LBNL-2187E; TRN: US200922%%511
Country of Publication:
United States
Language:
English