Chemistry in 1d via DMRG: Benchmarks for small atoms, ions, and molecules
Year: 2012
Type: preprint
Abstract: 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.
Source: arXiv (Cornell University)
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2794678671