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Published 2009 | metadata_only
Book Section - Chapter

The Density Matrix Renormalization Group in Quantum Chemistry


The density matrix renormalization 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. Here we provide an expository introduction to the theory behind the DMRG and give a brief overview of some recent applications and developments in the context of quantum chemistry.

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© 2009 Elsevier B.V.

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August 20, 2023
August 20, 2023