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“No Entity, No Identity” Vrije Universiteit Brussel
En su articulo "Entity, but no Identity" Décio Krause analiza la problemática de la identidad en la mecánica cuántica, señalando que si bien uno no puede sostener allí esta noción, es posible sin embargo retener el concepto de 'entidad'. Intentamos aquí avanzar en este sentido señalando que, en la interpretación de la teoría cuántica, la idea de 'entidad' se nos presenta no en tanto posibilidad, sino más bien como aquello que Bachelard denominó ...
Differential equation for the Dirac single-particle first-order density matrix in terms of the ground-state electron density Vrije Universiteit Brussel
The March-Suhai (MS) partial differential equation for the Dirac density matrix γs(r⇀,r⇀′), proved for one- and two-level occupancies, involves both the ground-state density n(r⇀), with its low-order derivatives, and the positive definite kinetic energy density ts(r⇀). Here, we examine the relation between the equation of motion for γs(r⇀,r⇀′), with input now being the one-body potential of density-functional theory, and the MS equation. The ...
Density and density profile changes in birch and spruce caused by thermo-hydro treatment measured by X-ray computed tomography Universiteit Gent KU Leuven
Fast density matrix-based partitioning of the energy over the atoms in a molecule consistent with the Hirshfeld-I partitioning of the electron density Universiteit Gent
Stochastic estimation of nuclear level density in the nuclear shell model: An application to parity-dependent level density in Ni-58 KU Leuven
© 2015 The Authors. We introduce a novel method to obtain level densities in large-scale shell-model calculations. Our method is a stochastic estimation of eigenvalue count based on a shifted Krylov-subspace method, which enables us to obtain level densities of huge Hamiltonian matrices. This framework leads to a successful description of both low-lying spectroscopy and the experimentally observed equilibration of Jπ=2+ and 2- states in 58Ni in ...
Role of baseline nodule density and changes in density and nodule features in the discrimination between benign and malignant solid indeterminate pulmonary nodules KU Leuven
PURPOSE: To retrospectively evaluate whether baseline nodule density or changes in density or nodule features could be used to discriminate between benign and malignant solid indeterminate nodules. MATERIALS AND METHODS: Solid indeterminate nodules between 50 and 500 mm(3) (4.6-9.8mm) were assessed at 3 and 12 months after baseline lung cancer screening (NELSON study). Nodules were classified based on morphology (spherical or non-spherical), ...
Microscopically based energy density functionals for nuclei using the density matrix expansion: Implementation and pre-optimization KU Leuven
In a recent series of articles, Gebremariam, Bogner, and Duguet derived a microscopically based nuclear energy density functional by applying the density matrix expansion (DME) to the Hartree-Fock energy obtained from chiral effective field theory two- and three-nucleon interactions. Owing to the structure of the chiral interactions, each coupling in the DME functional is given as the sum of a coupling constant arising from zero-range contact ...
Covariations between scapular shape and bone density in B-glenoids: A statistical shape and density modeling-approach KU Leuven
B-type glenoids are characterized by posterior humeral head migration and/or bony-erosion-induced glenoid retroversion. Patients with this type of osteoarthritic glenoids are known to be at increased risk of glenoid component loosening after anatomic total shoulder arthroplasty (aTSA). One of the main challenges in B glenoid surgical planning is to find a balance between correcting the bony shape and maintaining the quality of the bone support. ...
The polarisability of atoms and molecules: a comparison between a conceptual density functional theory approach and time-dependent density functional theory Vrije Universiteit Brussel
We investigate the local polarisability or polarisability density using both a conceptual density functional theory approach based on the linear response function and time-dependent density functional theory. Using a zero frequency in the latter, we can immediately compare both approaches. Using an analytical expression for the linear response kernel, we are able to systematically analyse α(r) throughout the periodic table. An extension to ...