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He is known for his development of surface hopping, a method for including excited states in molecular dynamics calculations.
en.wikipedia.org They allowed for the possibility of small errors in their calculations and even in some of their historic dates.
en.wikipedia.org Any calculations in hex mode which exceed this limit will display a result of zero, even if those calculations would succeed in other modes.
en.wikipedia.org Clearly such method can be used with much care and only in situations when the mistake in calculations is allowed.
en.wikipedia.org To fit the decay (i.e., the autocorrelation function), numerical methods are used, based on calculations of assumed distributions.
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