Spin-adapted Matrix Product States and Operators

Sebastian Keller; Markus Reiher

doi:10.1063/1.4944921

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arXiv · 1602.01145

Spin-adapted Matrix Product States and Operators

Sebastian Keller·Markus Reiher

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Abstract

Matrix product states (MPSs) and matrix product operators (MPOs) allow an alternative formulation of the density matrix renormalization group algorithm introduced by White. Here, we describe how non-abelian spin symmetry can be exploited in MPSs and MPOs by virtue of the Wigner--Eckart theorem at the example of the spin-adapted quantum chemical Hamiltonian operator.

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Sebastian Keller, Markus Reiher. 2016-03-12. Spin-adapted Matrix Product States and Operators. https://doi.org/10.1063/1.4944921

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