Chemistry in 1d via DMRG: Benchmarks for small atoms, ions, and molecules

Physics – Condensed Matter – Materials Science

Scientific paper

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12 pages, 10 figures

Scientific paper

The density matrix renormalization group (DMRG) method, an efficient solver of lattice models in 1d, has been adapted to solve real-space problems. We use DMRG to study the behavior of soft-Coulomb interacting matter, reporting accurate benchmarks for small systems. We compare with Hartree-Fock and the local density approximation, noting similarities and differences with 3d. We study how correlation grows as bonds stretch.

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