Localized Normal Coordinates in Accurate Vibrational Structure Calculations: Benchmarks for Small Molecules.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.9b00381
Abstract: The impact of localized CH-stretching normal coordinates in comparison to canonical normal coordinates on the performance of accurate vibrational structure calculations has been studied for simple molecules of up to eight atoms. Two aspects have… read more here.
Keywords: vibrational structure; accurate vibrational; normal coordinates; localized normal ... See more keywords
Physics in precision-dependent normal neighborhoods
Sign Up to like & getrecommendations! Published in 2020 at "Physical Review D"
DOI: 10.1103/physrevd.102.084065
Abstract: We introduce a procedure to determine the size and shape of normal neighborhoods in any spacetimes and their dependence on the precision of the measurements performed by arbitrary observers. As an example, we consider the… read more here.
Keywords: event horizon; normal neighborhoods; physics; normal coordinates ... See more keywords