An Introduction to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry

Details An Introduction to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry An Introduction to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry

2007-11-09

arxiv.org/abs/0711.1398v1

Physics

Condensed Matter

Strongly Correlated Electrons

17 pages, 3 figures

Scientific paper

The Density Matrix Renormalisation Group (DMRG) is an electronic structure method that has recently been applied to ab-initio quantum chemistry. Even at this early stage, it has enabled the solution of many problems that would previously have been intractable with any other method, in particular, multireference problems with very large active spaces. Historically, the DMRG was not originally formulated from a wavefunction perspective, but rather in a Renormalisation Group (RG) language. However, it is now realised that a wavefunction view of the DMRG provides a more convenient, and in some cases more powerful, paradigm. Here we provide an expository introduction to the DMRG ansatz in the context of quantum chemistry.

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