Descripción: This work describes a simple spatial decomposition of the first-order reduced density matrix corresponding to an N -electron system into first-order density matrices, each of them associated to an atomic domain defined in the theory of atoms in molecules. A study of the representability of the density matrices arisen from this decomposition is reported and analyzed. An appropriate treatment of the eigenvectors of the matrices defined over atomic domains or over unions of these domains allows one to describe satisfactorily molecular properties and chemical bondings within a determined molecule and among its fragments. Numerical determinations, performed in selected molecules, confirm the reliability of our proposal. © 2005 American Institute of Physics.

Descripción: We examine the decomposition of forced Taylor-Green and Arn'old-Beltrami-Childress (ABC) flows into coherent and incoherent components using an orthonormal wavelet decomposition. We ask whether wavelet coefficient thresholding based on the Donoho-Johnstone criterion can extract a coherent vortex signal while leaving behind Gaussian random noise. We find that no threshold yields a strictly Gaussian incoherent component, and that the most Gaussian incoherent flow is found for data compression lower than that achieved with the fully iterated Donoho-Johnstone threshold. Moreover, even at such low compression, the incoherent component shows clear signs of large-scale spatial correlations that are signatures of the forcings used to drive the flows. © 2012 American Institute of Physics.