Energy-adaptive Riemannian optimization on the Stiefel manifold

نویسندگان

چکیده

This paper addresses the numerical solution of nonlinear eigenvector problems such as Gross–Pitaevskii and Kohn–Sham equation arising in computational physics chemistry. These characterize critical points energy minimization on infinite-dimensional Stiefel manifold. To efficiently compute minimizers, we propose a novel Riemannian gradient descent method induced by an energy-adaptive metric. Quantified convergence methods is established under suitable assumptions underlying problem. A non-monotone line search inexact evaluation gradients substantially improve overall efficiency method. Numerical experiments illustrate performance demonstrates its competitiveness with well-established schemes.

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ژورنال

عنوان ژورنال: ESAIM

سال: 2022

ISSN: ['1270-900X']

DOI: https://doi.org/10.1051/m2an/2022036