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4
votes
0answers
29 views

Implementation of Lanczos method that returns tridiagonal matrix

The Lanczos method can be used to obtain extremal eigenpairs of sparse symmetric or hermitian matrices. I know there are several implementations of the Lanczos method (as well as Arnoldi, Davidson, ...
0
votes
0answers
27 views

A preconditioner for self-consistent iteration

I tried to derive a preconditioner for self-consistent iteration similar to section IX in arXiv:0804.2583. For simplicity, consider here only one orbital (one or two electrons) systems. Suppose that ...
2
votes
0answers
131 views

Generalized eigenvalue with null space

Define $S\in\mathbb{R}^{n\times n}$ as $$S:=H+Q^\top V^{-1} Q.$$ $H,V$ are positive semidefinite. Here, $H$, $Q$, and $V$ are large, dense matrices but they are structured: I can write code for ...
5
votes
1answer
2k views

Quality of eigenvalue approximation in Lanczos method

I try to familiarize myself with iterative eigenvalue solvers such as Lanczos. So I tried rewrite it to python directly according to wiki. But it doesn't seem to work. The problem: it approximates ...
11
votes
1answer
707 views

Smallest eigenvalue without inverse

Suppose $A\in\mathbb{R}^{n\times n}$ is a symmetric, positive definite matrix. $A$ is big enough that it's expensive to solve $Ax=b$ directly. Is there an iterative algorithm for finding the ...
4
votes
1answer
316 views

Finding interior eigenvalues using Davidson algorithm

Is it possible to find interior eigenvalues closer to some lambda using Davidson method? I was searching online but found that most people use Jacobi-Davidson method for that.
6
votes
3answers
1k views

Eigenvectors with the Power Iteration

To compute the eigenvector corresponding to dominant eigenvalue of a symmetric matrix $A\in\mathbb{R}^{n\times n}$, one used Power Iteration, i.e., given some random initialization, $u_1\in\mathbb{R}^...
8
votes
1answer
3k views

What is a good stop criterion when using an iterative method to find eigenvalues?

I read this answer, and realized I have been using the difference between sucessive iterates to define a stop criterion for an iterative method of finding eigenvalues/vectors. What are good stop ...