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20132026
most citedLaplacian-dependent models of the kinetic energy density: Applications in subsystem density functional theory with meta-generalized gradient approximation functionals

57 citations · 314 across the 23 of their papers we have counts for

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Showing 2020Show all

2 papers · 1 filter

physics.chem-ph2020★ 13 cited

Random-Phase Approximation in Many-Body Noncovalent Systems: Methane in a Dodecahedral Water Cage

Marcin Modrzejewski, Sirous Yourdkhani, Szymon Śmiga +1

The many-body expansion (MBE) of energies of molecular clusters or solids offers a way to detect and analyze errors of theoretical methods that could go unnoticed if only the total…

physics.chem-ph2020★ 20 cited

Methods to generate the reference total and Pauli kinetic potentials

Szymon Śmiga, Sylwia Siecińska, Eduardo Fabiano

We have derived a new method which allows to compute the full and the Pauli reference kinetic potentials for atoms and molecules in a real space representation. This is done by app…