126 citations · 259 across the 18 of their papers we have counts for
5 papers · 1 filter
Including arbitrary geometric correlations into one-dimensional time-dependent Schrödinger equations
Devashish Pandey, Xavier Oriols, Guillermo Albareda
The so-called Born-Huang ansatz is a fundamental tool in the context of ab-initio molecular dynamics, viz., it allows to effectively separate fast and slow degrees of freedom and t…
Stochastic Schrödinger equations and conditional states: a general Non-Markovian quantum electron transport simulator for THz electronics
Devashish Pandey, Enrique Colomés, Guillermo Albareda +1
A prominent tool to study the dynamics of open quantum systems is the reduced density matrix. Yet, approaching open quantum systems by means of state vectors has well known computa…
Nonadiabatic \textit{ab initio} Quantum Dynamics without Potential Energy Surfaces
Guillermo Albareda, Aaron Kelly, Angel Rubio
We present an efficient \textit{ab initio} algorithm for quantum dynamics simulations of interacting systems that is based on the conditional decomposition of the many-body wavefun…
BITLLES: Electron Transport Simulation with Quantum Trajectories
Guillermo Albareda, Damiano Marian, Abdelilah Benali +3
After the seminal work of R. Landauer in 1957 relating the electrical resistance of a conductor to its scattering properties, much progress has been made in our ability to predict…
Correlated Electron-Nuclear Dynamics with Conditional Wave Functions
Guillermo Albareda, Heiko Appel, Ignacio Franco +2
The molecular Schrödinger equation is rewritten in terms of non-unitary equations of motion for the nuclei (or electrons) that depend parametrically on the configuration of an ense…