Questions tagged [eigensystem]

An eigenvector of an operator is a vector such that the action of the operator is the same as multiplication by a constant, called the eigenvalue. The eigensystem of an operator is the set of all such eigenvectors and their associated eigenvalues.

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Computing eigenvalues of Schrodinger equation with spin

I want to solve a 2-dimensional particle in box problem with two electrons in the quantum well.I would like to take into account spin of electrons and Coulomb interactions to compute singlet and ...
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78 views

Accelerated Inverse Power Method with Rayleigh Quotient

I am considering implementing the accelerated inverse power (AIP) method with Rayleigh quotient to speed up eigendecomposition of a real square symmetric matrix. Halton (1996) gives an example ...
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Benchmark problems for eigenvalue reordering algorithms sought

Every real matrix $A$ can be reduce to real Schur form $T = U^T A U$ using an orthogonal similiary transform $U$. Here the matrix $T$ is quasi-triangular form with 1 by 1 or 2 by 2 blocks on the main ...
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4answers
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Solving the eigenvalue from a set of coupled second order differential equation numerically

I met a problem in solving a set of coupled differential equation, as shown below: $$A_1\psi_1(z)+A_2\frac{d^2\psi_1(z)}{dz^2}+A_3\frac{d\psi_2(z)}{dz}=\lambda\psi_1(z)$$ $$A_4\psi_2(z)+A_5\frac{d^2\...
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What is the fastest way to calculate the largest eigenvalue of a general matrix?

EDIT: I am testing if any eigenvalues have a magnitude of one or greater. I need to find the largest absolute eigenvalue of a large sparse, non-symmetric matrix. I have been using R's ...
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Forward Euler Adaptive Step Size Stability

Given with a generalization using adaptive times-stepping as then is it still reasonable to assume that to ensure stability of the Euler’s forward method we need the growth factor for all n to be ...
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Large scale nonsymmetric eigenvalue problems in practical applications

I am trying to determine need for solving large scale nonsymmetric eigenvalue problems in both industry and academia. I am interested in any kind of problem where we cannot assume that matrices are ...
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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 ...
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Why is LAPACK (seemingly) suboptimal for packed and banded eigenvalue problems?

Based on this LAPACK routines list, it looks like there is no relatively robust representation (RRR) driver routine for either packed or banded symmetric eigenvalue problems. According to the relevant ...
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746 views

Fast and accurate eigenvalue computation for 3x3 posdef matrices

I am looking for a very fast and efficient algorithm for the computation of the eigenvalues of a $3\times 3$ symmetric positive definite matrix. The algorithm will be part of a massive computational ...
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1answer
257 views

Boundary conditions in a finite element eigenvalue problem

I've been reading multiple papers and related posts for a while now, but I can't seem to find a specific answer to the issues I'm having so I hope someone can clarify things here. I'll provide some ...
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Efficient ways to numerically evaluate matrix exponentials

What are some computationally efficient ways to solve matrix exponentials, i.e. functions of the form : $f(X)=e^{X}$, where $X$ is a square matrix? So far I have been able to diagonalise some ...
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2d Schrodinger Equation via matrix diagonalization in C

I am trying to solve the time-independent Schrodinger equation in two dimensions via discrete matrix diagonalization. I want the energy eigenvalues and the corresponding eigenfunctions for a given ...
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633 views

Correct eigenfunctions of Laplace operator by Finite Differences

I am trying to compute the eigenfunctions of the Laplace operator, i.e. finding $u$ in $$ -\nabla^2 u = \lambda u .$$ For now I am trying to do this in 1D, so $$ \nabla^2 = \partial_{xx} .$$ I am ...
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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.
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1answer
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Eigenvectors associated to two quasi-degenerate eigenvalues

I need to find the smallest eigenvalue and the corresponding eigenvector of a sparse matrix $M$ whose dimension is $\approx 10^4$. Within Matlab enviroment, I use the command ...
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How to use Lanczos method to compute eigenvalues and eigenvectors

I have a sparse and symmetric matrix A(n x n). The method Lanczos tranforms matrix A into tridiagonal and symmetric matrix T and the Lanczos vectors in matrix V. From there how do I compute k ...
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Eigenvalue-like problem with coupled ODEs

I am looking at the following system of ODEs: \begin{array}{r}{\left[c_{2}(k)-\partial_{\tau}^{2}\right] \varphi_{2}\left(\tau \right)=f_{21}(\tau) \varphi_{1}\left(\tau \right)} \\ {\left[c_{1}(k)-...
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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, ...
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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 ...
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Perron-Frobenius theorem on general real symmetric matrices

From the Perron-Frobenius theorem, it might be concluded that the spectral radius is the largest eigenvalue for positive matrices, ie, matrices with strictly positive entries. In other words, the ...
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Calculate the Bloch wave

The eigenvalue problem $$\frac{d^2u}{dx^2}+2i k\frac{du}{dx}-[k^2-6\sin(x)^2]u(x)=-\mu u(x)$$ gives the first five eigenvalues with $k=0$ or $k=1$ which are $2.06$, $2.26$, $5.16$, $6.81$, and $7....
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How can I maximise orthonormality between degenerate eigenvectors using ARPACK?

I am using ARPACK's zndrv1 to diagonalise a matrix (the context is quantum chemistry). While all vectors have a norm 1, as expected, vectors corresponding to degenerate eigenstates aren't always ...
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Verification in Eigenvalue problems

Let us start with a problem of the form $$(\mathcal{L} + k^2) u=0$$ with a set of given boundary conditions (Dirichlet, Neumann, Robin, Periodic, Bloch-Periodic). This corresponds with finding the ...
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Dirichlet boundary conditions in generalized eigenvalue problem

Let us consider a problem of the form $$(\mathcal{L} + k^2) u(\mathbf{x})=0\, ,\quad \forall \mathbf{x} \in \Omega$$ with Dirichlet boundary conditions $$u(\mathbf{x}) = 0, \quad \forall \mathbf{x} ...
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439 views

Eigenvector with maximum overlap

Given a matrix $M$ and a vector $v$, is there an efficient method to find the normalized eigenvector of $M$ that is closest to $v$, in that it has maximal overlap. More explicitly, a vector $v$ can be ...
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1answer
969 views

Sorting eigenvalues by the dominant contribution

[Edited to simplify the question] I am trying to associate the eigenvalues $E$ of a matrix $H$ to the original rows of the matrix. Moreover, it would be trivial to sort the eigenvalues in ascending ...
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942 views

Sparse smallest eigenvalue problem on a linear subspace?

I am interested in methods for solving the optimization problem $$ \begin{array}{rl} \arg\min_x & x^T A x \\ \mathrm{s.t.} & x^T x = 1 \\ & Bx = 0 \end{array} $$ where $A$ is symmetric ...
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Solving a coupled eigen value problem

I have the following problem: $$\begin{bmatrix}A &B \\C& D\end{bmatrix}\begin{bmatrix}x\\y\end{bmatrix} = \begin{bmatrix}\lambda I_m & 0 \\ 0& \mu I_n\end{bmatrix}\begin{bmatrix}x \\y\...
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6answers
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Approximate spectrum of a large matrix

I want to compute the spectrum (all the eigenvalues) of a large sparse matrix (hundreds of thousands of rows). This is hard. I am willing to settle for an approximation. Are there approximation ...
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The sign of Schrodinger equation

I have a question for the format of Schrodinger equation $$\psi(x,t) = \int_0^\infty c_n e^{-iE_nt/\hbar} \psi_n(x)$$ Why do we have $i$ instead of $-i$?
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Discrepancies between numerical and analytical solution for particle in a finite potential well?

Analytical Inside the box, the wavefunction is: \begin{equation} \frac{\hbar^2}{2m} \frac{d^2 \psi(x)}{dx^2} = E \psi(x) \iff \frac{d^2 \psi(x)}{dx^2} = k^2 \psi(x) \end{equation} where $k = \...
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Methods to compute specific eigenvector components for a tridiagonal matrix

I have an application that is somewhat similar to the situation of computing Gaussian quadrature nodes and weights: simply put, I need to compute the eigenvalues and the last two (normalized) ...
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1answer
199 views

Can the Power Method be used here?

Given a set of $n$ points on which a triangulation is performed, it is possible to construct coefficients $\lambda_{ij}>0$ such that each point $x_i$ is a convex combination of the points connected ...
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1answer
113 views

Non-linearities in modal analysis of flexible beam

I'm trying to analyse the behaviour of a wind turbine blade rigidly connected to a wall during fatigue testing, being excited in it's first mode in two orthogaonal directions simultaneously (the first ...
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1answer
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Generate approximately semi-orthogonal tall matrix approximately satisfying constraints

I have a set of matrices $\{(A_i,D_i)\}$ for $i\in\{1,\ldots,n\}$, where: Each $D_j\in\mathbb{R}^{S\times S}$ is diagonal, and every entry on the main diagonal is non-negative. Each $A_j\in\mathbb{R}^...
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1answer
338 views

Matrix exponential of hermitian matrix with eigenvectors from generalized eigenvalue problem

I want to calculate the following expression $$ \exp(-i\Delta t\mathbf{H}) $$ where $\mathbf{H}\in\mathbb{C}^{n\times n}$ is a hermitian matrix. Since I have a highly optimized eigensolver in the code ...
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1answer
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Sign differences in spectral decomposition in NumPy

I am trying to understand an example from a book, but I seem to get different answers depending on which spectral decomposition function I use in NumPy. I am trying to find a spectral decomposition $...
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Eigenvalue with largest imaginary part

Iterative eigensolvers such as ARPACK, give the option to find a subset of the eigenvalues which have the largest imaginary part. My question is how do these algorithms work. As I understand it, ...
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1answer
142 views

Eigenvalue problems with extremely small gaps

I'm interested in numerically diagonalizing a class of structured, symmetric eigenvalue problems with potentially extremely small eigenvalue gaps. The question I have is how to design a numerically ...
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2answers
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Numerical Solution to Schrödinger Equation--Multiple Wells

I am trying to solve for the allowed wavefunctions and energies for a 1D quartic potential well. To do this I am using the patching method (https://engineering.dartmouth.edu/microeng/otherweb/...
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Left eigenvectors using ARPACK

I'm trying to find both the dominant $k$ left and right eigenvectors, that is, $$V_L\mathcal{A} = \Lambda V_L\\ \mathcal{A}V_R = V_R\Lambda\\ V_LV_R = I_{k\times k}$$ $V_L$ being the $k\times N$ ...
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1answer
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Nystrom approximation of SVD for asymmetric matrices

Suppose I have a symmetric matrix $K$. Subdivide $K$ into pieces as $$K=\begin{pmatrix} K_{11} & K_{12} \\ K_{21} & K_{22}\end{pmatrix},$$ where $K_{21}=K_{12}^\top$. Then, the Nystrom ...
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1answer
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How to do a Generalized Complex Schur (or QZ) Decomposition with Eigen C++? [closed]

I would like to do a Generalized Schur (or QZ) decomposition for a pair of complex matrices $A$ and $B$. I found the following class: ...
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Solving 2D Schrodinger Equation with ARPACK: Can I ensure all eigenvectors have the same phase?

I use arpack to solve the 2D Schrodinger, and eigenvalue problem of the form $$Hx = \epsilon x$$ on a uniform grid. All eigenvectors are real in my case. Arpack doesn't normalise the eigenvectors, ...
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When numerically computing eigenstates during a coupled-mode-space NEGF calculation, do phases matter?

The coupled mode space NEGF method for computing transistor characteristics involves expanding the electronic wavefunction in a mode space basis $$\Psi(x,y,z) = \sum_n\phi_n(x)\xi_n(y,z;x)$$ where $\...
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Eigenvalue ODE in Spherical Coordinates--Numerical

I wish to solve an eigenvalue problem: $$\nabla^{2}f=Ef $$ If I assume spherical symmetry $f(r,\theta,\phi)=f(r)$, I can reduce the problem to 1D: $$(\frac{2}{r}\frac{d}{dr}+\frac{d^{2}}{dr^{2}})f=...
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What is the fastest way to compute all eigenvalues of a very big and sparse adjacency matrix in python?

I'm trying to figure out if there is a faster way to compute all the eigenvalues and eigenvectors of a very big and sparse adjacency matrix than using scipy.sparse.linalg.eigsh As far as I know, this ...
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154 views

Multi-matrix orthogonal basis problem

Suppose we are given a set of symmetric, positive definite matrices $A_1,A_2,\ldots,A_k\in\mathbb{R}^{n\times n}$. Is there any numerical method or reduction to a known problem (e.g. eigenvalue ...
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1answer
166 views

Matrix exponential by eigenvectors - implementation issues

I posted a similar question yesterday but I deleted it since I think that I had to reformulate it after some insights. I want to calculate $$ \exp(-i\Delta t\,\mathcal{H}) = V\,\mathrm{diag}(\{\exp(-...