Computational Error Estimates for Born–Oppenheimer Molecular Dynamics with Nearly Crossing Potential Surfaces
Work
Year: 2015
Type: article
Abstract: The difference of the values of observables for the time-independent Schrödinger equation, with matrix-valued potentials, and the values of observables for ab initio Born–Oppenheimer molecular dynamic... more
Institutions Weierstrass Institute for Applied Analysis and Stochastics, University of Oslo, KTH Royal Institute of Technology, University of Delaware
Cites: 58
Cited by: 6
Related to: 10
FWCI: 1.176
Citation percentile (by year/subfield): 59.11
Subfield: Mathematical Physics
Field: Mathematics
Domain: Physical Sciences
Open Access status: bronze
Grant IDS NSF-DMS-0813893, 621-2010-5647 and 621-2014-4776