4 papers
Short-range correlation energy of the relativistic homogeneous electron gas
Julien Paquier, Julien Toulouse
We construct the complementary short-range correlation relativistic local-density-approximation functional to be used in relativistic range-separated density-functional theory base…
Relativistic short-range exchange energy functionals beyond the local-density approximation
Julien Paquier, Emmanuel Giner, Julien Toulouse
We develop relativistic short-range exchange energy functionals for four-component relativistic range-separated density-functional theory using a Dirac-Coulomb Hamiltonian in the n…
Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs
Yann Garniron, Thomas Applencourt, Kevin Gasperich +16
\textsc{Quantum Package} is an open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determina…
Four-component relativistic range-separated density-functional theory: Short-range exchange local-density approximation
Julien Paquier, Julien Toulouse
We lay out the extension of range-separated density-functional theory to a four-component relativistic frame-work using a Dirac-Coulomb-Breit Hamiltonian in the no-pair approximati…