6 citations · 10 across the 4 of their papers we have counts for
5 papers
Long-range configuration interaction with an ab initio short-range correction and an asymptotic lower bound
Anthony Scemama, Andreas Savin
Short-range corrections to long-range selected configuration interaction calculations are derived from perturbation theory considerations and applied to harmonium (with two to six…
A modified expression for the Hamiltonian expectation value exploiting the short-range behavior of the wave function
Anthony Scemama, Andreas Savin
The expectation value of the Hamiltonian using a model wave function is widely used to estimate the eigenvalues of electronic Hamiltonians. We explore here a modified formula for m…
Exploring the role of mean-field potentials and short-range wave function behavior in the adiabatic connection
Anthony Scemama, Andreas Savin
In this article, we explore the construction of Hamiltonians with long-range interactions and their corrections using the short-range behavior of the wave function. A key aspect of…
Second-order adiabatic connection: The theory and application to two electrons in a parabolic confinement
Andreas Savin, Jacek Karwowski
The adiabatic connection formalism, usually based on the first-order perturbation theory, has been generalized to an arbitrary order. The generalization stems from the observation…
Symmetry Breaking of Relativistic Multiconfiguration Methods in the Nonrelativistic Limit
Maria J. Esteban, Mathieu Lewin, Andreas Savin
The multiconfiguration Dirac-Fock method allows to calculate the state of relativistic electrons in atoms or molecules. This method has been known for a long time to provide certai…