5 citations · 5 across the 4 of their papers we have counts for
4 papers
Density dependent embedding potentials for piecewise exact densities
Tomasz Adam Wesolowski
Frozen Density Embedding Theory (FDET) [Wesolowski {\it Phys. Rev. A} {\bf 77}, 012504 (2008)] provides the interpretation of the eigenvalue equations for an embedded -electron…
Nuclear cusps and singularities in the non-additive kinetic potential bi-functional from analytical inversion
Mojdeh Banafsheh, Tomasz A. Wesolowski, Tim Gould +2
The non-additive kinetic potential is a key quantity in density-functional theory (DFT) embedding methods, such as frozen density embedding theory and partition DF…
Frozen-Density Embedding Theory based simulations with experimental electron densities
Niccolò Ricardi, Michelle Ernst, Piero Macchi +1
The basic idea of Frozen-Density Embedding Theory (FDET) is the constrained minimisation of the Hohenberg-Kohn density functional performed using the auxiliary function…
Orbital-free effective embedding potential at nuclear cusp
Juan Maria Garcia Lastra, Jakub W. Kaminski, Tomasz A. Wesolowski
A new approach to approximate the kinetic-energy-functional dependent component () of the effective potential in one-electron equations for orbitals embedded…