Related papers: Wavefunction extended Lagrangian Born-Oppenheimer …
The interaction of electrons with quantized phonons and photons underlies the ultrafast dynamics of systems ranging from molecules to solids, and it gives rise to a plethora of physical phenomena experimentally accessible using…
Classical molecular dynamics simulations have recently become a standard tool for the study of electrochemical systems. State-of-the-art approaches represent the electrodes as perfect conductors, modelling their responses to the charge…
We employ ptychography, a phase-retrieval imaging technique, to show experimentally for the first time that a partially coherent high-energy matter (electron) wave emanating from an extended source can be decomposed into a set of mutually…
The method used earlier for analysis of correlated nanoscopic systems is extended to infinite (periodic) s-band like systems described by the Hubbard model and its extensions. The optimized single-particle wave functions contained in the…
Rescattering electrons offer great potential as probes of molecular properties on ultrafast timescales. The most famous example is molecular tomography, in which high harmonic spectra of oriented molecules are mapped to ``tomographic…
A mixed quantum-classical approach to simulate the coupled dynamics of electrons and nuclei in nanoscale molecular systems is presented. The method relies on a second order expansion of the Lagrangian in time-dependent density functional…
We combine the recently developed many-body Green's function theory for electrons and nuclei with the exact factorization of the wave function. The existing Born-Oppenheimer Green's functions are shown to be special cases of our exact…
Lagrangian properties obtained from a Particle Tracking Velocimetry experiment in a turbulent flow at intermediate Reynolds number are presented. Accurate sampling of particle trajectories is essential in order to obtain the Lagrangian…
This paper presents a new technique to calculate the evolution of a quantum wavefunction in a chosen spatial basis by minimizing the accumulated action. Introduction of a finite temporal basis reduces the problem to a set of linear…
As electronic operating frequencies increase toward the terahertz regime, new electrooptic modulators capable of low-voltage high-frequency operation must be developed to provide the necessary optical interconnects. This letter presents a…
It is shown that a sub-luminal electromagnetic plasma wave, propagating in phase with a background sub-luminal gravitational wave in a dispersive medium, can undergo parametric amplification. For this phenomena to occur, the dispersive…
The global many-electron wave function overlap matrix accounts for all effects beyond the Born-Oppenheimer approximation in the discrete variable local diabatic representation, a numerically exact framework for modeling nonadiabatic conical…
Geminal wavefunctions, introduced in the late 1950s, have long been recognized for their ability to compactly capture strong electron correlation. Despite their promise, they were historically overshadowed by more computationally efficient…
The article presents an alternative approach to the definition of vector electrodynamic potential and its properties. It is shown that generally it has vortical and potential components. The system of differential equations of generalized…
We develop a novel method for building a gravitational analog model for a flowing Bose-Einstein condensate. The analogue metric is obtained using effective field theory methods, integrating out the heavy radial fluctuations. In this way, we…
This paper presents a brief review of the newly developed \emph{Extended Electrodynamics}. The relativistic and non-relativistic approaches to the extension of Maxwell equations are considered briefly, and the further study is carried out…
Lagrangian averaging is a valuable tool for the analysis and modelling of multiscale processes in fluid dynamics. The numerical computation of Lagrangian (time) averages from simulation data is challenging, however. It can be carried out by…
Using time as an additional design parameter in electromagnetism, photonics, and wave physics is attracting considerable research interest, motivated by the possibility to explore physical phenomena and engineering opportunities beyond the…
We present a plane wave/pseudopotential implementation of the method to calculate electron transport properties of nanostructures. The conductance is calculated via the Landauer formula within formalism of Green's functions. Nonorthogonal…
A general approach is presented to describing nonlinear classical Maxwell electrodynamics with conformal symmetry. We introduce generalized nonlinear constitutive equations, expressed in terms of constitutive tensors dependent on…