332 citations · 747 across the 20 of their papers we have counts for
20 papers
A Haldane-Anderson Hamiltonian Model for Hyperthermal Hydrogen Scattering from a Semiconductor Surface
Xuexun Lu, Nils Hertl, Sara Oregioni +5
Collisions of atoms and molecules with metal surfaces create electronic excitations in the metal, leading to nonadiabatic energy dissipation, inelastic scattering, and sticking. Mi…
Reduced Density Matrices and Phase-Space Distributions in Thermofield Dynamics
Bartosz Błasiak, Dominik Brey, Rocco Martinazzo +1
Thermofield dynamics (TFD) is a powerful framework to account for thermal effects in a wavefunction setting, and has been extensively used in physics and quantum optics. TFD relies…
Quantum rates in dissipative systems with spatially varying friction
Oliver Bridge, Paolo Lazzaroni, Rocco Martinazzo +3
We investigate whether making the friction spatially dependent on the reaction coordinate introduces quantum effects into the thermal reaction rates for dissipative reactions. Quan…
Emergence of the molecular geometric phase from exact electron-nuclear dynamics
Rocco Martinazzo, Irene Burghardt
Geometric phases play a crucial role in diverse fields. In chemistry they appear when a reaction path encircles an intersection between adiabatic potential energy surfaces and the…
Dynamics of the molecular geometric phase
Rocco Martinazzo, Irene Burghardt
The fate of the molecular geometric phase in an exact dynamical framework is investigated with the help of the exact factorization of the wavefunction and a recently proposed quant…
Quantum hydrodynamics of coupled electron-nuclear systems
Rocco Martinazzo, Irene Burghardt
The quantum dynamics of electron-nuclear systems is analyzed from the perspective of the exact factorization of the wavefunction, with the aim of defining gauge invariant equations…