Essays about: "Omar Ghulam Ahmed Malik"
Found 1 essay containing the words Omar Ghulam Ahmed Malik.
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1. Accelerated Density Matrix Iterations Using Eigenvalue Gaps
University essay from Uppsala universitet/Institutionen för informationsteknologiAbstract : Density and Fock matrices play a significant role in electronic structure calculations, and there exist several methods to compute the density matrix from a given Fock matrix. One such method isdensity matrix purification, in which the eigenspectrum of the Fock matrix is scaled into the [0,1]interval and the Fock matrix is afterwards iterated with a sequence of polynomials that push theeigenvalues towards 1 and 0. READ MORE
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