332 citations · 747 across the 20 of their papers we have counts for
8 papers · 1 filter
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…
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 algorithms for grid-based variational time evolution
Pauline J Ollitrault, Sven Jandura, Alexander Miessen +4
The simulation of quantum dynamics calls for quantum algorithms working in first quantized grid encodings. Here, we propose a variational quantum algorithm for performing quantum d…
Quantum Dynamics with Electronic Friction
Rocco Martinazzo, Irene Burghardt
A theory of electronic friction is developed using the exact factorization of the electron-nuclear wavefunction. No assumption is made regarding the electronic bath, which can be m…
Comment on "Regularizing the MCTDH equations of motion through an optimal choice on-the-fly (i.e., spawning) of unoccupied single-particle functions" [D. Mendive-Tapia, H.-D. Meyer, J. Chem. Phys. 153, 234114 (2020)]
Rocco Martinazzo, Irene Burghardt
The purpose of the present Comment is to point out the connection between an approach to spawning and regularization that was recently introduced by D. Mendive-Tapia and H.-D. Meye…