5608 search results - page 962 / 1122 » On the Theory of Matchgate Computations |
101
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JCC
2007
15 years 1 months ago
2007
: An improvement to the grid-based algorithm of Henkelman et al. for the calculation of Bader volumes is suggested, which more accurately calculates atomic properties as predicted ...
106
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JCC
2007
15 years 1 months ago
2007
Abstract: A new parallel algorithm has been developed for calculating the analytic energy derivatives of full accuracy second order Møller-Plesset perturbation theory (MP2). Its m...
113
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JCC
2007
15 years 1 months ago
2007
Abstract: The physical interactions among electrons and nuclei, responsible for the chemistry of atoms and molecules, is well described by quantum mechanics and chemistry is theref...
134
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TNN
2008
15 years 1 months ago
2008
Abstract--High-dimensional data are common in many domains, and dimensionality reduction is the key to cope with the curse-of-dimensionality. Linear discriminant analysis (LDA) is ...
127
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CAGD
2005
15 years 1 months ago
2005
Given an m-dimensional surface in Rn , we characterize parametric curves in , which interpolate or approximate a sequence of given points pi and minimize a given energy functio...