Computational Error Estimates for Born–Oppenheimer...

Applied Mathematics Research eXpress 2015 Vol. 2015; Iss. 2

Computational Error Estimates for Born–Oppenheimer Molecular Dynamics with Nearly Crossing Potential Surfaces

Bayer, Christian, Hoel, Håkon, Kadir, Ashraful, Plecháč, Petr, Sandberg, Mattias, Szepessy, Anders
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Volume:
2015
Year:
2015
Language:
english
Journal:
Applied Mathematics Research eXpress
DOI:
10.1093/amrx/abv007
File:
PDF, 3.50 MB
english, 2015
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