arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 0809.3321cond-mat.str-el
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具有有效相互作用的块密度矩阵重整化群

Block Density Matrix Renormalization Group with Effective Interactions

Haibo Ma, Chungen Liu, Yuansheng Jiang

摘要:

基于收缩重整化群(CORE)方法和密度矩阵重整化群(DMRG)方法,提出了一种新的计算方案--带有效相互作用的块密度矩阵重整化群(BDMRG-EI).与传统的CORE方法不同,BDMRG-EI采用DMRG方法代替精确对角化,使其适用于较大块和碎片的计算。结合DMRG的高精度和CORE的低计算成本,BDMRG-EI可广泛应用于具有简单或复杂连通性的大体系的基态和低激发态的理论计算。对一个240位的一维链和一个含48个六边形的双层聚并苯齐聚物的实验计算表明了该方法的有效性和潜力。

英文摘要:

Based on the contractor renormalization group (CORE) method and the density matrix renormalization group (DMRG) method, a new computational scheme, which is called the block density matrix renormalization group with effective interactions (BDMRG-EI), is proposed to deal with the numerical computation of quantum correlated systems. Different from the convential CORE method in the ways of calculating the blocks and the fragments, where the DMRG method instead of the exact diagonalization is employed in BDMRG-EI, DMRG-EI makes the calculations of larger blocks and fragments applicable. Integrating DMRG's advantage of high accuracy and CORE's advantage of low computational costs, BDMRG-EI can be widely used for the theoretical calculations of the ground state and low-lying excited states of large systems with simple or complicated connectivity. Test calculations on a 240 site one-dimensional chain and a double-layer polyacene oligomer containing 48 hexagons demonstrate the efficiency and potentiality of the method.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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