Efficient Open-Source Implementations of Linear-Scaling Polarizable Embedding: Use Octrees to Save the Trees
Work
Year: 2021
Type: article
Abstract: We present open-source implementations of the linear-scaling fast multipole method (FMM) within the polarizable embedding (PE) model for efficient treatment of large polarizable environments in comput... more
Authors Maximilian Scheurer, Peter Reinholdt, Jógvan Magnus Haugaard Olsen, Andreas Dreuw, Jacob Kongsted
Cites: 55
Cited by: 10
Related to: 10
FWCI: 0.89
Citation percentile (by year/subfield): 99.99
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Sustainable Development Goal Affordable and clean energy
Open Access status: green
Funders Villum Fonden, Deutsche Forschungsgemeinschaft, Deutsche Forschungsgemeinschaft, Danmarks Frie Forskningsfond
Grant IDS 29478, INST 40/575-1 FUGG, GRK 1986, DFF-7014-00050B