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Exact-exchange density functional theory of the integer quantum Hall effect: strict 2D limit
(Springer, 2018-06)
A strict bidimensional (strict-2D) exact-exchange (EE) formalism within the framework of density-functional theory (DFT) has been developed and applied to the case of an electron gas subjected to a strong perpendicular ...
The probability density function to the random linear transport equation
(Elsevier Science IncNew YorkEUA, 2010)
Testing density-functional approximations on a lattice and the applicability of the related Hohenberg-Kohn-like theorem
(Nature Publishing Group, 2018-01-12)
We present a metric-space approach to quantify the performance of approximations in lattice density-functional theory for interacting many-body systems and to explore the regimes where the Hohenberg-Kohn-type theorem on ...
FP-AK-QIEA-R for Multi-Objective optimization
(Association for Computing Machinery, 2016)
The Evolutionary Algorithms have main features like: population, evolutionary operations (crossover, mate, mutation and others). Most of them are based on randomness and follow a criteria using fitness like selector. The ...
Determination of energies and electronic densities of functional groups according to partitionings in the physical space
(American Chemical Society, 2008-10)
This work formulates our previously reported partitionings of the first-order reduced density matrix and the molecular electronic energy using for both quantities an identical mathematical framework. The procedure provides ...
Nonparametric estimation of a surrogate density function in infinite-dimensional spaces
(Taylor & Francis Ltd, 2012-06)
A density function is generally not well defined in functional data context, but we can define a surrogate of a probability density, also called pseudo-density, when the small ball probability can be approximated by the ...
Classical kinetic energy, quantum fluctuation terms and kinetic-energy functionals
(SpringerNew YorkEUA, 2007)