663 citations · 1k across the 19 of their papers we have counts for
6 papers · 1 filter
On the Kinetic Energy Density Functional: The Limit of the Density Derivative Order
Abdulaziz H. Al-Aswad, Fahhad H. Alharbi
Within ``orbital-free'' density functional theory, it is essential to develop general kinetic energy density (KED), denoted as . This is usually done by empirical co…
Psitrum: An Open Source Simulator for Universal Quantum Computers
Mohammed Alghadeer, Eid Aldawsari, Raja Selvarajan +3
Quantum computing is a radical new paradigm for a technology that is capable to revolutionize information processing. Simulators of universal quantum computer are important for und…
Correction to kinetic energy density using exactly solvable model
Alexey Sergeev, Raka Jovanovic, Sabre Kais +1
An accurate non-gradient-expansion based correction to Thomas--Fermi is developed using solvable model. The used model is a system of non-interacting electrons moving independe…
Convergent sum of gradient expansion of the kinetic-energy density functional up to the sixth order term using Pade approximant
A. Sergeev, R. Jovanovic, S. Kais +1
The gradient expansion of the kinetic energy functional, when applied for atoms or finite systems, usually grossly overestimates the energy in the fourth order and generally diverg…
Efficient method for localized functions using domain transformation and Fourier sine series
Raka Jovanovic, Sabre Kais, Fahhad H. Alharbi
An efficient approach to handle localized states by using spectral methods (SM) in one and three dimensions is presented. The method consists of transformation of the infinite doma…
Quantum criticality analysis by finite size scaling and exponential basis sets
Fahhad H Alharbi, Sabre Kais
We combine the finite size scaling method with the meshfree spectral method to calculate quantum critical parameters for a given Hamiltonian. The basic idea is to expand the exact…