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Accurate prediction of the Si/SiO(2) interface band offset using the self-consistent ab initio DFT/LDA-1/2 method
(AMER PHYSICAL SOC, 2009)
We use the density functional theory/local-density approximation (DFT/LDA)-1/2 method [L. G. Ferreira , Phys. Rev. B 78, 125116 (2008)], which attempts to fix the electron self-energy deficiency of DFT/LDA by half-ionizing ...
From nonequilibrium Green’s functions to quantum master equations for the density matrix and out-of-time-order correlators: Steady-state and adiabatic dynamics
(American Physical Society, 2021-07)
We consider a finite quantum system under slow driving and weakly coupled to thermal reservoirs at different temperatures. We present a systematic derivation of the quantum master equation for the density matrix and the ...
Nonempirical hyper-generalized-gradient functionals constructed from the Lieb-Oxford bound
(AMER PHYSICAL SOC, 2009)
A simple and completely general representation of the exact exchange-correlation functional of density-functional theory is derived from the universal Lieb-Oxford bound, which holds for any Coulomb-interacting system. This ...
Hierarchical density estimates for data clustering, visualization, and outlier detection
(ACMNew York, 2015-07)
An integrated framework for density-based cluster analysis, outlier detection, and data visualization is introduced in this article. The main module consists of an algorithm to compute hierarchical estimates of the level ...
Release density, dispersal capacity, and optimal rearing conditions forTelenomus remus, an egg parasitoid ofSpodoptera frugiperda, in maize
(Taylor & Francis Ltd, 2020-06-06)
We determined the release density, dispersal capacity, and optimal storage conditions for the parasitoidTelenomus remusNixon to controlSpodoptera frugiperda(J.E. Smith). Each of eighty plants within an 829-m(2)plot were ...
Nodal liquid and s-wave superconductivity in transition metal dichalcogenides
(Amer Physical SocCollege PkEUA, 2005)
State-of-the-art techniques for calculating spectral functions in models for correlated materials
(Europhysics Letters, 2015-10)
The dynamical mean-field theory (DMFT) has become a standard technique for the study of strongly correlated models and materials overcoming some of the limitations of density functional approaches based on local approximations. ...
On the performance of Kernel Density Estimation using Density Matrices
(Universidad Nacional de ColombiaBogotá - Ciencias - Maestría en Ciencias - EstadísticaDepartamento de EstadísticaFacultad de CienciasBogotá, ColombiaUniversidad Nacional de Colombia - Sede Bogotá, 2021-07-30)
Density estimation methods can be used to solve a variety of statistical and machine learning challenges. They can be used to tackle a variety of problems, including anomaly detection, generative models, semi-supervised ...
Phase transition of the nucleon-antinucleon plasma at different ratios
(Amer Physical SocCollege PkEUA, 2008)