Density matrix renormalisation group Lagrangians.
Density matrix renormalisation group Lagrangians.
复制标题
DOI：
10.1039/b805292c
复制
发表时间：
2008-06
期刊：
影响因子：
--
通讯作者：
G. Chan
中科院分区：
文献类型：
--
作者：
G. Chan
介绍了密度矩阵重正化群(DMRG)的拉格朗日表示。我们提出的拉格朗日函数，当最小化时，在变分意义上产生最优的DMRG波函数，无论是在一般的矩阵乘积ansatz内，还是在DMRG扫描算法内构造的矩阵乘积的标准形式内。所得到的一些结果类似于Hartree-Fock理论中的初等表达式，我们注意到这样的类比。这里介绍的拉格朗日将有助于发展DMRG中的解析响应和导数理论。
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.