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Compression of the electron repulsion integral tensor in tensor hypercontraction format with cubic scaling cost
electron repulsion integral tensor tensor hypercontraction format cubic scaling cost
2015/7/14
Electron repulsion integral tensor has ubiquitous applications in quantum chemistry calculations. In this work, we propose an algorithm which compresses the electron repulsion tensor into the tensor h...
Discrete Kernel Preserving Model for 1D Electron-Optical Phonon Scattering
D Electron-Optical Phonon Scattering Discrete Kernel Preserving Model
2014/9/26
We investigate the discretization of of an electron-optical phonon scattering using
a nite volume method. The discretization is conservative in mass and is essentially
based on an energy point of v...
On the electron scattering on the one-dimensional complexes: the vertex array method
electron scattering one-dimensional complexes vertex array method
2011/2/21
The problem of electron scattering on the one-dimensional complexes is considered. We present a novel theoretical approach to solution of the transport problem for a quantum graph.
In this article we discuss the interference patterns which appear in the local particle-density and particle-current distributions of two infinite 2-D lattice systems of free fermions
which are allow...
The application of the pseudostate-close-coupling method using a non-orthogonal Laguerre-L^2 basis for electron-helium scattering
Differential and total cross sections Elastic and excitation
2010/9/25
Differential and total cross sections for elastic and excitation from the ground state to n ≤ 2 states of atomic helium by electrons are computed for incident energies in the range from 5 to 50 eV. Th...
Molecular imaging with X-ray free electron lasers: dream or reality?
Optics (physics.optics) Pattern Formation and Solitons (nlin.PS)
2010/11/10
X-ray Free Electron Lasers (XFEL) are revolutionary photons sources, whose ultrashort, brilliant pulses are expected to allow single molecule diffraction experiments providing structural information o...
On the relationship between parametric two-electron reduced-density-matrix methods and the coupled electron pair approximation
On the relationship between parametric two-electron reduced-density-matrix methods coupled electron pair approximation
2010/12/15
Parametric two-electron reduced-density-matrix (p-2RDM) methods have enjoyed much success
in recent years; the methods have been shown to exhibit accuracies greater than coupled cluster
with single ...
Tanh-travelling wave solutions and reduction of variable-coefficient unstable nonlinear Schrodinger equation to a quadrature in electron beam plasma
variable -coefficient unstable nonlinear Schrö dinger (vcUNLS) equation travelling wave solutions, RQ method
2010/9/14
The unstable system of plasma equations where an electron beam is injected under a high-frequency electric field is reduced to the variable -coefficient unstable nonlinear Schrödinger (vcUNLS) eq...
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篇名
High resolution electron microscopy observation of interfacial structures in NiAl-matrix in situ composites reinforced by TiC particulates
语种
英文
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作者
L.G.Yu,J.Y.Dai,Z.P.Xing,D.X.Li,J.T....