Search Results - "Angilella, G.G.N."

Towards the extrapolation of the valence‒valence electron partial structure factor for liquid Mg near freezing from a combination of theory and experiment by March, N.H., Angilella, G.G.N.

“…Egelstaff, March, and McGill (1973) proposed the extraction of electron correlation functions in liquids from scattering data. Here, we appeal to computer…”
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Higher-derivative four-dimensional sine–Gordon model by Bontorno, Matteo F., Angilella, G.G.N., Zappalà, Dario

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Fingerprints of antiaromaticity in the negative ion (Li3Al4)− via an ab initio quantum-chemical study of the equilibrium structure of the inhomogeneous electron liquid by Grassi, A., Lombardo, G.M., Angilella, G.G.N., March, N.H., Pucci, R., Klein, D.J., Balaban, A.T.

“…Fingerprints of antiaromaticity in the negative ion (Li 3 Al 4 ) − , this species being realisable via a laser vaporisation technique, are revealed by means of…”
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Recent progress in low-order density matrix theory of inhomogeneous electron liquids by exact solution of two- and four-electron model atoms by Akbari, A., March, N.H., Rubio, A., Angilella, G.G.N., Pucci, R.

“…Three aspects of low-order density matrix (DM) theory will be reviewed, following some brief comments on analogies with, and differences from, density…”
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Phase Transitions Wholly within the Liquid State by Angilella, G.G.N., Leys, F.E., March, N.H., Pucci, R.

“…After a quite brief discussion of the quantal liquids 4 He, 3 He and H, 'classical' elemental liquids which are treated in turn are C, P, Se and S. Phase…”
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The nuclear structure and related properties of some low-lying isomers of free-space O n clusters ( n = 6 , 8 , 12 ) by Forte, G., Angilella, G.G.N., March, N.H., Pucci, R.

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Structure of a low-lying isomer of BOSi2, as a free-space planar cluster, using the Hartree–Fock method plus second order perturbations by Forte, G., Angilella, G.G.N., March, N.H., Pucci, R.

“…[Display omitted] •Low-lying geometries of neutral and charged BOSi2 clusters are reported.•Vibrational frequencies and stability discussed.•A planar…”
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Neutral and cationic free-space oxygen–silicon clusters SiO n ( 1 < n ⩽ 6 ), and possible relevance to crystals of SiO2 under pressure by Forte, G., Angilella, G.G.N., Pittalà, V., March, N.H., Pucci, R.

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The nuclear structure and related properties of some low-lying isomers of free-space On clusters (n=6,8,12) by Forte, G., Angilella, G.G.N., March, N.H., Pucci, R.

“…After some introductory comments relating to antiferromagnetism of crystalline O2, and brief remarks on the geometry of ozone, Hartree–Fock (HF) theory plus…”
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Kinetic Monte Carlo simulations of vacancy evolution in graphene by Parisi, L., Di Giugno, R., Deretzis, I., Angilella, G.G.N., La Magna, A.

“…Kinetic lattice Monte Carlo simulations, implementing ab initio calibrated energetics, are applied to study the evolution of vacancy systems in graphene. The…”
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Modeling vacancies and hydrogen impurities in graphene: A molecular point of view by Forte, G., Grassi, A., Lombardo, G.M., La Magna, A., Angilella, G.G.N., Pucci, R., Vilardi, R.

“…We have followed a ‘molecular’ approach to study impurity effects in graphene. This is thought as the limiting case of an infinitely large cluster of benzene…”
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Ab initio quantum mechanics of a cluster of SiH(4) and two H(2) molecules, together with its dimer and trimer by te, G, Angilella, G.G.N., March, N H, Pucci, R

“…Recent experimental work by Strobel et al. [T.A. Strobel, M. Somayazulu, R.J. Hemley, Phys. Rev. Lett. 103 (2009) 065701] on a molecular solid subjected to…”
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Ab initio quantum mechanics of a cluster of SiH 4 and two H 2 molecules, together with its dimer and trimer by Forte, G., Angilella, G.G.N., March, N.H., Pucci, R.

“…Recent experimental work by Strobel et al. [T.A. Strobel, M. Somayazulu, R.J. Hemley, Phys. Rev. Lett. 103 (2009) 065701] on a molecular solid subjected to…”
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Neutral and cationic free-space oxygen–silicon clusters SiOn (1<n⩽6), and possible relevance to crystals of SiO2 under pressure by Forte, G., Angilella, G.G.N., Pittalà, V., March, N.H., Pucci, R.

“…Motivated by the theoretical study of Saito and Ono (2011) on three crystalline forms of SiO2 under pressure, quantum-chemical calculations on various…”
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Pairing symmetry of superconducting graphene by Pellegrino, F. M.D., Angilella, G. G.N., Pucci, R.

“… The possibility of intrinsic superconductivity in alkali-coated graphene monolayers has been recently suggested theoretically. Here, we derive the possible…”
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Ab initio quantum mechanics of a cluster of SiH4 and two H2 molecules, together with its dimer and trimer by Forte, G., Angilella, G.G.N., March, N.H., Pucci, R.

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Proposed lower bound for the shear viscosity to entropy density ratio in some dense liquids by Angilella, G.G.N., March, N.H., Pellegrino, F.M.D., Pucci, R.

“…Starting from relativistic quantum field theories, Kovtun et al. (2005) have quite recently proposed a lower bound η / s ⩾ ℏ / ( 4 π k B ) , where η is the…”
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Inhomogeneous electron liquid in the free-space building block Li 2 C 2 plus its dimer and trimer by Forte, G., Angilella, G.G.N., Pittalà, V., March, N. H., Pucci, R.

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Melting curve T _ m ( p ) of sodium under pressure p : transition from a Wigner-like nuclear bcc structure near 30 GPa to lower symmetry states with negative d T_ m  /  d p at higher pressures by Angilella, G.G.N., March, N.H., Pucci, R.

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Melting curve T_m(p) of sodium under pressure p: transition from a Wigner-like nuclear bcc structure near 30 GPa to lower symmetry states with negative dT_m / d p at higher pressures by Angilella, G.G.N., March, N.H., Pucci, R.

“…It is known experimentally that the melting temperature T m (p) of Na as a function of pressure p increases with p out to ∼20 GPa and then passes through a…”
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