Results 41 to 50 of about 5,440,548 (293)
Implicit density-functional theory [PDF]
Physical Review A, 2006 A fermion ground state energy functional is set up in terms of particle density, relative pair density, and kinetic energy tensor density. It satisfies a minimum principle if constrained by a complete set of compatibility conditions. A partial set, which thereby results in a lower bound energy under minimization, is obtained from the solution of model ...
Liu, Bin, Percus, Jerome K.
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Evolving symbolic density functionals
Science Advances, 2022 Systematic development of accurate density functionals has been a decades-long challenge for scientists. Despite emerging applications of machine learning (ML) in approximating functionals, the resulting ML functionals usually contain more than tens of thousands of parameters, leading to a huge gap in the formulation with the conventional human ...
He Ma +3 more
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Wavelet estimations of a density function in two-class mixture model
AIMS MathematicsThis paper considers nonparametric estimations of a density function in a two-class mixture model. A linear wavelet estimator and an adaptive wavelet estimator are constructed.
Junke Kou , Xianmei Chen
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Determining $\Omega$ from cluster correlation function
, 1998 It is shown how data on the cluster correlation function can be used in order to reconstruct the density of the pregalactic density field on the cluster mass scale.
A. Kashlinsky +11 more
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Physical Review C, 2007 The Hohenberg-Kohn theorem and Kohn-Sham procedure are extended to functionals of the localized intrinsic density of a self-bound system such as a nucleus. After defining the intrinsic-density functional, we modify the usual Kohn-Sham procedure slightly to evaluate the mean-field approximation to the functional, and carefully describe the construction ...
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Constrained Density Functional Theory [PDF]
Chemical Reviews, 2011 National Science Foundation (U.S.) (Grant CHE-1058219)
Kaduk, Benjamin James +2 more
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Pediatric Blood &Cancer, EarlyView.ABSTRACT The pediatric hematologyâoncology fellowship training curriculum has not substantially changed since its inception. The first year of training is clinically focused, and the second and third years are devoted to scholarship. However, this current structure leaves many fellows less competitive in the current job market, resulting in ...
Scott C. Borinstein +3 more
wiley +1 more source
Threshold dynamics and density function of a stochastic cholera transmission model
AIMS MathematicsCholera, as an endemic disease around the world, has imposed great harmful effects on human health. In addition, from a microscopic viewpoint, the interference of random factors exists in the process of virus replication.
Ying He, Bo Bi
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Green's Function Approach to the Edge Spectral Density
, 1997 It is shown that the conventional many-body techniques to calculate the Green's functions can be applied to the wide, compressible edge of a quantum Hall bar.
A. L. Efros +21 more
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Density functional triple jumping [PDF]
Physical Chemistry Chemical Physics, 2010 We propose a density functional perturbative scheme to approximate the energy of a high-level DFT calculation at a significantly reduced cost. Our approach involves performing a primary SCF calculation using a crude functional, basis set and quadrature grid, followed by a single step using a more sophisticated secondary functional, basis and grid ...
Deng, Jia, Gilbert, Andrew, Gill, Peter
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