Ab initio molecular simulations with numeric atom-centered orbitals
Work
Year: 2009
Type: article
Abstract: We describe a complete set of algorithms for ab initio molecular simulations based on numerically tabulated atom-centered orbitals (NAOs) to capture a wide range of molecular and materials properties ... more
Source: Computer Physics Communications
Cites: 175
Cited by: 2,543
Related to: 10
FWCI: 23.02
Citation percentile (by year/subfield): 100
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Sustainable Development Goal Affordable and clean energy
Open Access status: hybrid
APC paid (est): $3,670