Fernando Pirani
University of Perugia
367 Papers
3.9K Citations
Fernando Pirani is an academic researcher from University of Perugia. The author has contributed to research in topics: Intermolecular force & Scattering. The author has an hindex of 50, co-authored 339 publications. Previous affiliations of Fernando Pirani include Complutense University of Madrid & Spanish National Research Council.
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Papers
Generalized correlations in terms of polarizability for van der Waals interaction potential parameter calculations
TL;DR: In this paper, general correlations between van der Waals interaction potential parameters and polarizabilities of the interacting neutral-neutral partners of any nature are presented and discussed, and an evaluation of the long-range interaction constants is performed in terms of the Slater-Kirkwood approximation whose numerical coefficients, having the meaning of effective electron numbers, are estimated interpolating the values deduced by theoretical considerations.
365
Beyond the Lennard-Jones model: a simple and accurate potential function probed by high resolution scattering data useful for molecular dynamics simulations.
Fernando Pirani,Simona Brizi,Luiz F. Roncaratti,Piergiorgio Casavecchia,David Cappelletti,Franco Vecchiocattivi +5 more
TL;DR: Improved Lennard-Jones (ILJ) as discussed by the authors was proposed to eliminate the inadequacies at short and long-range of the LJ model and has been used for molecular dynamics simulations of both neutral and ionic systems.
313
Atom–bond pairwise additive representation for intermolecular potential energy surfaces
TL;DR: In this article, the potential energy surfaces are represented by a simple analytical form written as a sum of atom-bond interaction contributions, for which a new potential model, [ n ( x ), m ], is proposed.
243
Experimental benchmarks and phenomenology of interatomic forces: open-shell and electronic anisotropy effects
TL;DR: In this paper, a perspective view of some representative experimental information available on interatomic forces is given, where the partition of the interaction into van der Waals (repulsion + dispersion) and possibly electrostatic and/or induction components is analyzed.
142
Range, strength and anisotropy of intermolecular forces in atom–molecule systems: an atom–bond pairwise additivity approach
TL;DR: In this paper, a new method is proposed to calculate bond energies and equilibrium distances in atom-molecule van der Waals complexes which arises from a balancing between long-range attraction and asymptotic tail of the repulsion.
142