[HTML][HTML] The ubiquitous Kronecker product

CF Van Loan - Journal of computational and applied mathematics, 2000 - Elsevier
The Kronecker product has a rich and very pleasing algebra that supports a wide range of
fast, elegant, and practical algorithms. Several trends in scientific computing suggest that …

[图书][B] Templates for the solution of algebraic eigenvalue problems: a practical guide

Z Bai, J Demmel, J Dongarra, A Ruhe, H van der Vorst - 2000 - SIAM
In many large scale scientific or engineering computations, ranging from computing the
frequency response of a circuit to the earthquake response of a buildingto the energy levels …

Toward the optimal preconditioned eigensolver: Locally optimal block preconditioned conjugate gradient method

AV Knyazev - SIAM journal on scientific computing, 2001 - SIAM
We describe new algorithms of the locally optimal block preconditioned conjugate gradient
(LOBPCG) method for symmetric eigenvalue problems, based on a local optimization of a …

[图书][B] Krylov projection methods for model reduction

EJ Grimme - 1997 - search.proquest.com
This dissertation focuses on efficiently forming reduced-order models for large, linear
dynamic systems. Projections onto unions of Krylov subspaces lead to a class of reduced …

Optimizing large parameter sets in variational quantum Monte Carlo

E Neuscamman, CJ Umrigar, GKL Chan - Physical Review B—Condensed …, 2012 - APS
We present a technique for optimizing hundreds of thousands of variational parameters in
variational quantum Monte Carlo. By introducing iterative Krylov subspace solvers and by …

Preconditioned eigensolvers-an oxymoron?

AV Knyazev - Electronic Transactions on Numerical Analysis, 1998 - etna.ricam.oeaw.ac.at
A short survey of some results on preconditioned iterative methods for symmetric eigenvalue
problems is presented. The survey is by no means complete and reflects the author's …

The Jastrow antisymmetric geminal power in Hilbert space: Theory, benchmarking, and application to a novel transition state

E Neuscamman - The Journal of chemical physics, 2013 - pubs.aip.org
The Jastrow-modified antisymmetric geminal power (JAGP) ansatz in Hilbert space
successfully overcomes two key failings of other pairing theories, namely, a lack of inter-pair …

Preconditioning the Lanczos algorithm for sparse symmetric eigenvalue problems

RB Morgan, DS Scott - SIAM Journal on Scientific Computing, 1993 - SIAM
A method for computing a few eigenpairs of sparse symmetric matrices is presented and
analyzed that combines the power of preconditioning techniques with the efficiency of the …

[PDF][PDF] Electronic and optical properties of quantum dots and wires

O Stier - 2005 - depositonce.tu-berlin.de
The electronic and optical properties of strained semiconductor quantum wires and dots are
investigated theoretically, taking into account their shapes and chemical compositions in a …

[图书][B] Computational nanoscience: Applications for molecules, clusters, and solids

K Varga, JA Driscoll - 2011 - books.google.com
Computer simulation is an indispensable research tool in modeling, understanding and
predicting nanoscale phenomena. However, the advanced computer codes used by …