Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Graziano Amati"'
Autor:
Johan E. Runeson, Jonathan R. Mannouch, Graziano Amati, Marit R. Fiechter, Jeremy O. Richardson
Publikováno v:
CHIMIA, Vol 76, Iss 6 (2022)
Many chemical reactions exhibit nonadiabatic effects as a consequence of coupling between electronic states and/or interaction with light. While a fully quantum description of nonadiabatic reactions is unfeasible for most realistic molecules, a more
Externí odkaz:
https://doaj.org/article/e812ab8924c6449a8eed2a8829a8a6e6
Publikováno v:
The Journal of Chemical Physics
The Journal of Chemical Physics, 157 (23)
The Journal of Chemical Physics, 157 (23)
The formalism of the generalized quantum master equation (GQME) is an effective tool to simultaneously increase the accuracy and the efficiency of quasiclassical trajectory methods in the simulation of nonadiabatic quantum dynamics. The GQME expresse
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c598ada040d63d0d0ae6fb5760feeaff
Publikováno v:
Physical Review E. 100
We discuss the structure of the equation of motion that governs nucleation processes at first order phase transitions. From the underlying microscopic dynamics of a nucleating system, we derive by means of a nonequilibrium projection operator formali
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b9aaf94004856f7c2fa35dbae61ffca8
https://doi.org/10.1103/physreve.100.052140
https://doi.org/10.1103/physreve.100.052140
Autor:
Tanja Schilling, Graziano Amati
Publikováno v:
Chaos: An Interdisciplinary Journal of Nonlinear Science. 30:033116
We study the statistics and short-times dynamics of the classical and the quantum Fermi-Pasta-Ulam chain in thermal equilibrium. We analyze the distributions of single-particle configurations by integrating out the rest of the system. At low temperat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cbc6d88a7e05cca155a3d9830e970cfa
https://doi.org/10.1063/1.5130740
https://doi.org/10.1063/1.5130740
We study the Intermediate Scattering Function (ISF) of the strongly-nonlinear Fermi-Pasta Ulam Model at thermal equilibrium, using both numerical and analytical methods. From the molecular dynamics simulations we distinguish two limit regimes, as the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::647fa38416e370073695b6e166a69997
Publikováno v:
Mathematical Physics, Analysis and Geometry. 18
We show that the standard Fermi–Pasta–Ulam system, with a suitable choice for the interparticle potential, constitutes a model for glasses, and indeed an extremely simple and manageable one. Indeed, it allows one to describe the landscape of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f387531397072fa4a96bd6cef24a0f45
https://doi.org/10.1007/s11040-015-9201-x
https://doi.org/10.1007/s11040-015-9201-x