82 citations · 103 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2014★ 21 cited
Frozen density embedding with non-integer subsystems' particle numbers
E. Fabiano, S. Laricchia, F. Della Sala
We extend the frozen density embedding theory to non-integer subsystems' particles numbers. Different features of this formulation are discussed, with special concern for approxima…
physics.chem-ph2014★ 82 cited
Laplacian-level kinetic energy approximations based on the fourth-order gradient expansion: Global assessment and application to the subsystem formulation of density functional theory
S. Laricchia, L. A. Constantin, E. Fabiano +1
We test Laplacian-level meta-generalized gradient approximation (meta-GGA) non-interacting kinetic energy functionals based on the fourth-order gradient expansion (GE4). We conside…