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arXiv 1602.01145physics.chem-phcond-mat.str-elphysics.comp-ph
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自旋自适应矩阵乘积态和算符

Spin-adapted Matrix Product States and Operators

Sebastian Keller, Markus Reiher

摘要:

矩阵乘积态(MPS)和矩阵乘积算子(MPO)允许由White引入的密度矩阵重整化群算法的替代公式。在这里,我们描述了如何非阿贝尔自旋对称性可以利用在MPS和MPO凭借维格纳-埃卡特定理的例子自旋适应量子化学哈密顿算子。

英文摘要:

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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