1 resultado para Mindlin Pseudospectral Plate Element, Chebyshev Polynomial, Integration Scheme
em Universitat de Girona, Spain
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Resumo:
The total energy of molecule in terms of 'fuzzy atoms' presented as sum of one- and two-atomic energy components is described. The divisions of three-dimensional physical space into atomic regions exhibit continuous transition from one to another. The energy components are on chemical energy scale according to proper definitions. The Becke's integration scheme and weight function determines realization of method which permits effective numerical integrations