Issue 23, 2008

Density matrix renormalisation group Lagrangians

Abstract

We introduce a Lagrangian formulation of the density matrix renormalisation group (DMRG). We present Lagrangians which, when minimised, yield the optimal DMRG wavefunction in a variational sense, both within the general matrix product ansatz and within the canonical form of the matrix product that is constructed within the DMRG sweep algorithm. Some of the results obtained are similar to elementary expressions in Hartree–Fock theory, and we draw attention to such analogies. The Lagrangians introduced here will be useful in developing theories of analytic response and derivatives in the DMRG.

Graphical abstract: Density matrix renormalisation group Lagrangians

Article information

Article type
Paper
Submitted
28 Mar 2008
Accepted
25 Apr 2008
First published
20 May 2008

Phys. Chem. Chem. Phys., 2008,10, 3454-3459

Density matrix renormalisation group Lagrangians

G. K. Chan, Phys. Chem. Chem. Phys., 2008, 10, 3454 DOI: 10.1039/B805292C

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