most citedMultireference Correlation in Long Molecules with the Quadratic Scaling Density Matrix Renormalization Group

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cond-mat.str-el2006★ 207 cited

Multireference Correlation in Long Molecules with the Quadratic Scaling Density Matrix Renormalization Group

Johannes Hachmann, Wim Cardoen, Garnet Kin-Lic Chan

We have devised and implemented a local ab initio Density Matrix Renormalization Group (DMRG) algorithm to describe multireference nondynamic correlations in large systems. For lon…