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20132024
most citedLaplacian-level kinetic energy approximations based on the fourth-order gradient expansion: Global assessment and application to the subsystem formulation of density functional theory

82 citations · 150 across the 6 of their papers we have counts for

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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…