نتایج جستجو برای: self consistent

تعداد نتایج: 815620  

A self-consistent approach for the evaluation of the existing three-parameter corresponding states principles of non-polar fluids and the calculation of the corresponding states parameters is presented. This self consistent approach is based upon the assumption that the contribution of the third parameter to the thermophysical properties is much smaller than the contributions of the first two p...

1998
Simon Dye Andy Taylor

We present a new method for directly determining accurate, self-consistent cluster lens mass and shear maps in the strong lensing regime from the magnification bias of background galaxies. The method relies upon pixellisation of the surface mass density distribution which allows us to write down a simple, solvable set of equations. We also show how pixellisation can be applied to methods of mas...

Journal: :International Journal of Modern Physics E 2005

2007
Jesper Larsson Träff William Gropp Rajeev Thakur

The MPI Standard does not make any performance guarantees, but users expect (and like) MPI implementations to deliver good performance. A common-sense expectation of performance is that an MPI function should perform no worse than a combination of other MPI functions that can implement the same functionality. In this paper, we formulate some performance requirements and conditions that good MPI...

2003
L. Ciotti P. Londrillo

We present preliminary results on a new family of distribution functions that are able to generate axisymmetric, truncated (i.e., finite size) stellar dynamical models characterized by toroidal shapes. The relevant distribution functions generalize those that are known to describe polytropic spheres, for which all the dynamical and structural properties of the system can be expressed in explici...

2008
Y. Malevergne D. Sornette

We discuss the foundations of factor or regression models in the light of the self-consistency condition that the market portfolio (and more generally the risk factors) is (are) constituted of the assets whose returns it is (they are) supposed to explain. As already reported in several articles, self-consistency implies correlations between the return disturbances. As a consequence, the alpha's...

2005
Michael P. Desjarlais FranGois Leonard Mark van Schilfgaarde Takao Kotani

We present a new ab initio method for electronic structure calculations of materials at finite temperature (FT) based on the all-electron quasiparticle self-consistent GW (QPscGW) approximation and Keldysh time-loop Green's function approach. We apply the method to Si, Ge, GaAs, InSb, and diamond and show that the band gaps of these materials universally decrease with temperature in contrast wi...

2017
F. Nilsson L. Boehnke P. Werner F. Aryasetiawan

We discuss a parameter-free and computationally efficient ab initio simulation approach for moderately and strongly correlated materials, the multitier self-consistent GW+EDMFT method. This scheme treats different degrees of freedom, such as high-energy and low-energy bands, or local and nonlocal interactions, within appropriate levels of approximation, and provides a fully self-consistent desc...

Journal: :Journal of chemical theory and computation 2007
Pierre-François Loos Xavier Assfeld

Among all the Quantum Mechanics/Molecular Mechanics (QM/MM) methods available to describe large molecular systems, the Local Self-Consistent Field/MM (LSCF/MM) one uses frozen doubly occupied Strictly Localized Bonding Orbital (SLBO) to connect the QM fragment to the one treated at the MM level. This approach is correct as long as the QM part is large enough to minimize the artifacts that could...

2002
Vladimir Yershov Vladimir Vysotsky

Abstract: A composite model of fermions based on three-flavoured preons is presented. It is shown that the opposite character of interactions between preons leads to formation of complex structures reproducing three generations of quarks and leptons with all their quantum numbers and masses. The model is self-consistent (it doesn’t use input parameters). Nevertheless, the masses of the generate...

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