The Density Matrix Renormalization Group in Quantum Chemistry

被引：614

作者：

Chan, Garnet Kin-Lic ^{[1
]}

Sharma, Sandeep ^{[1
]}

机构：

[1] Cornell Univ, Dept Chem & Chem Biol, Ithaca, NY 14853 USA

来源：

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 62 | 2011年 / 62卷

关键词：

strong correlation; multireference; active space; matrix product states; tensor networks; SPIN SYSTEMS; ALGORITHM; CURVE; CONVERGENCE; STATES; WATER; DMRG;

D O I：

10.1146/annurev-physchem-032210-103338

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The density matrix renormalization group is a method that is useful for describing molecules that have strongly correlated electrons. Here we provide a pedagogical overview of the basic challenges of strong correlation, how the density matrix renormalization group works, a survey of its existing applications to molecular problems, and some thoughts on the future of the method.

引用

页码：465 / 481

页数：17

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