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Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation
Electronic structure Kohn–Sham density functional theory Discontinuous Galerkin Adaptive local basis set Enrichment functions Eigenvalue problem
2015/7/14
Kohn–Sham density functional theory is one of the most widely used electronic structure theories. In the pseudopotential framework, uniform discretization of the Kohn–Sham Hamiltonian generally result...
We calculate the local Fourier transforms for connections on the formal punctured disk, corroborating the results of J. Fang and C. Sabbah using a different method. Our method is similar to Fang's, bu...
An algorithm for the calculation of progress or regress via TOPSIS and Malmquist productivity index
Topsis, Positive ideal solution Nagative ideal solution
2010/9/17
In this paper, the TOPSIS method is used for two times t and t + 1. In order to calculate the progress or regress via Malmquist index, the positive and negative ideal and negative ideals at time t and...