Browsing by Author "Weinan, E"
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Adaptive local basis set for KohnSham density functional theory in a discontinuous Galerkin framework I: Total energy calculation
Lin, L; Lu, Jianfeng; Ying, L; Weinan, E (Journal of Computational Physics, 20120220)KohnSham density functional theory is one of the most widely used electronic structure theories. In the pseudopotential framework, uniform discretization of the KohnSham Hamiltonian generally results in a large number ... 
Effective Maxwell equations from timedependent density functional theory
Lu, Jianfeng; Weinan, E; Yang, X (Acta Mathematica Sinica, English Series, 20110120)The behavior of interacting electrons in a perfect crystal under macroscopic external electric and magnetic fields is studied. Effective Maxwell equations for the macroscopic electric and magnetic fields are derived starting ... 
Ergodicity for the navierstokes equation with degenerate random forcing: Finitedimensional approximation
Weinan, E; Mattingly, Jonathan Christopher (Communications on Pure and Applied Mathematics, 20011101)We study Galerkin truncations of the twodimensional NavierStokes equation under degenerate, largescale, stochastic forcing. We identify the minimal set of modes that has to be forced in order for the system to be ergodic. ... 
Multipole representation of the Fermi operator with application to the electronic structure analysis of metallic systems
Car, R; Lin, L; Lu, Jianfeng; Weinan, E (Physical Review B  Condensed Matter and Materials Physics, 20090303)We propose a multipole representation of the FermiDirac function and the Fermi operator and use this representation to develop algorithms for electronic structure analysis of metallic systems. The algorithm is quite simple ... 
Polebased approximation of the Fermidirac function
Lin, L; Lu, Jianfeng; Weinan, E; Ying, L (Chinese Annals of Mathematics. Series B, 20091201)Two approaches for the efficient rational approximation of the FermiDirac function are discussed: one uses the contour integral representation and conformal mapping, and the other is based on a version of the multipole ... 
Stability and the continuum limit of the spinpolarized ThomasFermiDiracvon Weizsäcker model
Lu, Jianfeng; Weinan, E (Journal of Mathematical Physics, 20121127)The continuum limit of the spinpolarized ThomasFermiDiracvon Weizsäcker model in an external magnetic field is studied. An extension of the classical CauchyBorn rule for crystal lattices is established for the electronic ...