466 citations · 2.4k across the 48 of their papers we have counts for
50 papers
Erfonium: A Hooke Atom with Soft Interaction Potential
Jacek Karwowski, Andreas Savin
Properties of erfonium, a Hooke atom with the Coulomb interaction potential replaced by a non-singular potential are investigated. The structure of the Hoo…
Correcting models with long-range electron interaction using generalized cusp conditions
Andreas Savin, Jacek Karwowski
Sources of energy errors resulting from the replacement of the physical Coulomb interaction by its long-range approximation are explored. It is demonstrated t…
What is the number of electrons in a spatial domain?
Anthony Scemama, Andreas Savin
We like to attribute a number of electrons to spatial domains (atoms, bonds, ...). However, as a rule, the number of electrons in a spatial domain is not a sharp number. We thus st…
Two-particle coalescence conditions revisited
Jacek Karwowski, Andreas Savin
The notion of the n-th order local energy, generated by the n-th power of the Hamiltonian, has been introduced. The n-th order two-particle coalescence conditions have been derived…
The effect of uncertainty on building blocks in molecules
Anthony Scemama, Andreas Savin
Probabilities to find a chosen number of electrons in flexible domains of space are calculated for highly correlated wave functions. Quantum mechanics can produce higher probabilit…
FLEIM: A stable, accurate and robust extrapolation method at infinity for computing the ground state of electronic Hamiltonians
Étienne Polack, Yvon Maday, Andreas Savin
The Kohn-Sham method uses a single model system, and corrects it by a density functional the exact user friendly expression of which is not known and is replaced by an approximated…