5 papers
The self-consistent field iteration for p-spectral clustering
Parikshit Upadhyaya, Elias Jarlebring, Francesco Tudisco
The self-consistent field (SCF) iteration, combined with its variants, is one of the most widely used algorithms in quantum chemistry. We propose a procedure to adapt the SCF itera…
Linearizability of eigenvector nonlinearities
Rob Claes, Elias Jarlebring, Karl Meerbergen +1
We present a method to linearize, without approximation, a specific class of eigenvalue problems with eigenvector nonlinearities (NEPv), where the nonlinearities are expressed by s…
Implicit algorithms for eigenvector nonlinearities
Elias Jarlebring, Parikshit Upadhyaya
We study and derive algorithms for nonlinear eigenvalue problems, where the system matrix depends on the eigenvector, or several eigenvectors (or their corresponding invariant subs…
NEP-PACK: A Julia package for nonlinear eigenproblems - v0.2
Elias Jarlebring, Max Bennedich, Giampaolo Mele +2
We present NEP-PACK a novel open-source library for the solution of nonlinear eigenvalue problems (NEPs). The package provides a framework to represent NEPs, as well as efficient i…
A density matrix approach to the convergence of the self-consistent field iteration
Parikshit Upadhyaya, Elias Jarlebring, Emanuel H. Rubensson
In this paper, we present a local convergence analysis of the self-consistent field (SCF) iteration using the density matrix as the state of a fixed-point iteration. Sufficient and…