2 papers
cond-mat.str-el2019
Frustration, ring exchange, and the absence of long-range order in EtMeSb[Pd(dmit)]: from first principles to many-body theory
E. P. Kenny, G. David, N. Ferré +2
We parameterize Hubbard and spin models for EtMeSb[Pd(dmit)] from broken symmetry density functional calculations. This gives a scalene triangular model where the large…
physics.comp-ph2019
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…