Related papers: First-principles calculations for attosecond elect…

We present here an exploration on on the physical implications of the Darwinian dynamics. We first show that how the nonequilibrium statistical mechanics emerges naturally. We then show that the first three laws of the thermodynamics, the…

Attosecond photoemission or photoionization delays are a unique probe of the structure and the electronic dynamics of matter. However, spectral congestion and spatial delocalization of valence electron wave functions set fundamental limits…

High-harmonic spectroscopy (HHS) in liquids promises real-time access to ultrafast electronic dynamics in the native environment of chemical and biological processes. While electron recollision has been established as the dominant mechanism…

We present general first principles derivation of expression for current-induced forces. The expression is applicable in non-equilibrium molecular systems with arbitrary intra-molecular interactions and for any electron-nuclei coupling. It…

The electron dynamics in counter-propagating laser waves is investigated by employing a novel approach, where the new Hamiltonian is time-independent when the perturbative laser wave is absent. The physical picture of stochastic electron…

The interrelationship between a material's structure and its properties lies at the heart of materials-related research. Finding how the changes of one affect the other is of primary importance in theoretical and computational materials…

Attosecond science promises to reveal the most fundamental electronic dynamics occurring in matter and it can develop further by meeting two linked technological goals related to high-order harmonic sources: higher photon flux (permitting…

First- and second-order temperature driven transitions are studied, in a lattice gas driven by an oscillatory field. The short time dynamics study provides upper and lower bounds for the first-order transition points obtained using standard…

The interference of matter waves is one of the intriguing features of quantum mechanics that has impressed researchers and laymen since it was first suggested almost a century ago. Nowadays, attosecond science tools allow us to utilize it…

Glasses are solid materials whose constituent atoms are arranged in a disordered manner. The transition from a liquid to a glass remains one of the most poorly understood phenomena in condensed matter physics, and still no fully microscopic…

It has been known that electronic conical intersections in a molecular system can also be created by laser light even in diatomics. The direct consequence of these light-induced degeneracies is the appearance of a strong mixing between the…

Devising a computational tool that assesses the thermodynamic stability of materials is among the most important steps required to build a ``virtual laboratory'', where materials could be designed from first-principles without relying on…

The averaged steady-state surprisal links a driven stochastic system's information processing to its nonequilibrium thermodynamic response. By explicitly accounting for the effects of nonequilibrium steady states, a decomposition of the…

The equilibrium state of a system consisting of a large number of strongly interacting electrons can be characterized by its density operator. This gives a direct access to the ground-state energy or, at finite temperatures, to the free…

As first proposed by Gruzinov, a charged particle moving in strong electromagnetic fields can enter an equilibrium state where the power input from the electric field is balanced by radiative losses. When this occurs, the particle moves at…

Ultrafast relaxation dynamics of an athermal electron distribution is investigated in silver films using a femtosecond pump-probe technique with 18 fs pulses in off-resonant conditions. The results yield evidence for an increase with time…

This is the first of three papers devoted to the nonequilibrium thermodynamics of amorphous materials. Our focus here is on the role of internal degrees of freedom in determining the dynamics of such systems. For illustrative purposes, we…

We report an ab initio molecular dynamics simulation study of several static and dynamic properties of the liquid 3d transition metals. The calculated static structure factors show qualitative agreement with the available experimental data,…

Attosecond pulses can be used to initiate and control electron dynamics on a sub-femtosecond time scale. The first step in this process occurs when an atom absorbs an ultraviolet photon leading to the formation of an attosecond electron…

This letter presents a remarkably simple approach to the first-principles determination of the ergodic-non-ergodic transition in monodisperse colloidal suspensions. It consists of an equation for the long-time asymptotic value $\gamma$ of…