Full-CI Quantum Chemistry using the Density-Matrix Renormalization Group

Details Full-CI Quantum Chemistry using the Density-Matrix Renormalization Group Full-CI Quantum Chemistry using the Density-Matrix Renormalization Group

1999-12-20

arxiv.org/abs/cond-mat/9912348v1

Physics

Condensed Matter

Strongly Correlated Electrons

Scientific paper

We describe how density-matrix renormalization group (DMRG) can be used to
solve the full-CI problem in quantum chemistry. As an illustration of the
potential of this method, we apply it to a paramagnetic molecule. In
particular, we show the effect of various basis set, the scaling as the fourth
power of the size of the problem, and compare the DMRG with other methods.

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