Analytic cubic and quartic force fields using density-functional theory
Work
Year: 2014
Type: article
Abstract: We present the first analytic implementation of cubic and quartic force constants at the level of Kohn–Sham density-functional theory. The implementation is based on an open-ended formalism for the ev... more
Source: The Journal of Chemical Physics
Institutions UiT The Arctic University of Norway, KTH Royal Institute of Technology, AlbaNova, University of Oslo
Cites: 72
Cited by: 43
Related to: 10
FWCI: 3.315
Citation percentile (by year/subfield): 93.04
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): $3,500