22,381 research outputs found
George Berkeley
Tradução para o português do verbete "George Berkeley, de Michael Ayers, retirado de "A Companion to Epistemology", ed. Jonathan Dancy e Ernest Sosa (Oxford: Blackwell, 1997), pp. 261–264. Criticanarede. ISSN 1749-845
Semiclassical vibrational spectroscopy : the importance of quantum anharmonicity in supra-molecular systems
Semiclassical (SC) vibrational spectroscopy has been applied successfully to several molecular systems thanks to the possibility to regain quantum effects accurately starting from short-time classical trajectories.[1-5] Larger molecular and supra-molecular systems represent instead an open challenge in the field of semiclassical spectroscopy mainly due to the necessity to work in very high dimensionality.
To start off the talk I will present some recent theoretical advances able to extend the range of applicability of SC vibrational spectroscopy to very high-dimensional systems.[6-7] Then, I will move to applications of semiclassical spectroscopy concerning the vibrational features of water clusters and two supra-molecular systems involving glycine.[8-9] These applications will point out the importance of a multi-reference, dynamical approach able to reproduce quantum anharmonicities without employing any ad-hoc scaling factor.
[1] M. F. Herman, E. Kluk, Chem. Phys. 1984, 91, 27.
[2] A. L. Kaledin, W. H. Miller, J. Chem. Phys. 2003, 118, 7174.
[3] M. Ceotto, S. Atahan, G. F. Tantardini, A. Aspuru-Guzik, J. Chem. Phys. 2009, 130, 234113.
[4] R. Conte, A. Aspuru-Guzik, M. Ceotto, J. Phys. Chem. Lett. 2013, 4, 3407.
[5] F. Gabas, R. Conte, M. Ceotto, J. Chem. Theory Comput. 2017, 13, 2378.
[6] M. Ceotto, G. Di Liberto, R. Conte, Phys. Rev. Lett. 2017, 119, 010401.
[7] G. Di Liberto, R. Conte, M. Ceotto, J. Chem. Phys. 2018, 148, 014307.
[8] G. Di Liberto, R. Conte, M. Ceotto, J. Chem. Phys. 2018, 148, 104302.
[9] F. Gabas, G. Di Liberto, R. Conte, M. Ceotto, to be submitted
General solution for Hamiltonians with extended cubic and quartic potentials
We integrate with hyperelliptic functions a two-particle Hamiltonian with
quartic potential and additionnal linear and nonpolynomial terms in the
Liouville integrable cases 1:6:1 and 1:6:8.Comment: LaTex 2e. To appear, Theoretical and Mathematical Physics 200
On the exact solutions of the Bianchi IX cosmological model in the proper time
It has recently been argued that there might exist a four-parameter analytic
solution to the Bianchi IX cosmological model, which would extend the
three-parameter solution of Belinskii et al. to one more arbitrary constant. We
perform the perturbative Painlev\'e test in the proper time variable, and
confirm the possible existence of such an extension.Comment: 8 pages, no figure, standard Latex, to appear in Regular and chaotic
dynamics (1998
- …