相关论文: Analysis of divergent dynamics of exactly factoriz…

Antisymmetrized molecular dynamics with quantum branching is generalized so as to allow finite time duration of the unrestricted coherent mean field propagation which is followed by the decoherence into wave packets. In this new model, the…

We consider the divergences in quantum electrodynamics. Our approach is based on ideas from the theory of generalized wave operators. In particular, we use the concept of the deviation factor. The deviation factor characterizes the…

Coherent light pulses of few to hundreds of femtoseconds (fs) duration have prolifically served the field of ultrafast phenomena. While fs pulses address mainly dynamics of nuclear motion in molecules or lattices in the gas, liquid or…

It was recently shown [G. Albareda, et al., Phys. Rev. Lett. 113, 083003 (2014)] that within the conditional decomposition approach to the coupled electron-nuclear dynamics, the electron-nuclear wave function can be exactly decomposed into…

Standard approximations for the exchange-correlation functional have been found to give big errors for the linearity condition of fractional charges, leading to delocalization error, and the constancy condition of fractional spins, leading…

We discuss the limits of the photon wavefunction (PWF) formalism, which is experiencing a revival in these days from the new practical applications in photonics and quantum optics. We build a Dirac-like equation for the PWF written in a…

We analyze the effects of a distortion of the nuclear potential of a molecular quantum dot (QD), as well as a shift of its equilibrium position, on nonequilibrium-vibration-assisted tunneling through the QD with a single level…

We point out that although a litany of studies have been published on atoms in hard-wall confinement, they have not been systematic or have not used robust numerical methods. We report a methodical study of atoms in hard-wall confinement…

Molecular rotation, vibration, internal rotation, isomerization, tunneling, intermolecular dynamics of weakly and strongly interacting systems, intra-to-inter-molecular energy transfer, hindered rotation and hindered translation over…

The dynamics of phase field crystal (PFC) modeling is derived from dynamical density functional theory (DDFT), for both single-component and binary systems. The derivation is based on a truncation up to the three-point direct correlation…

Dynamical density functional theory (DDFT) is a powerful variational framework to study the nonequilibrium properties of colloids by only considering a time-dependent one-body number density. Despite the large number of recent successes,…

This report presents a new approach for treating the coupling of electrons and nuclei in quantum mechanical calculations for molecules and condensed matter. It includes the standard "Born-Oppenheimer approximation" as a special case but…

A mechanism is proposed for initial stage of instability development that can induce the fragmentation of nuclear matter, arising as a result of collisions of non-relativistic heavy nuclei. Collision of heavy nuclei is simulated as a…

X-ray scattering is a weak linear probe of matter. It is primarily sensitive to the position of electrons and their momentum distribution. Elastic X-ray scattering forms the basis of atomic structural determination while inelastic Compton…

Recent progress in out-of-equilibrium closed quantum systems has significantly advanced the understanding of mechanisms behind their evolution towards thermalization. Notably, the concept of non-thermal fixed points (NTFPs) - responsible…

A systematic global investigation of pairing properties based on all available experimental data on pairing indicators has been performed for the first time in the framework of covariant density functional theory. It is based on separable…

The concerted motion of two or more bound electrons governs atomic and molecular non-equilibrium processes and chemical reactions. It is thus a long-standing scientific dream to measure the dynamics of two bound correlated electrons in the…

We develop a trajectory-based approach for excited-state molecular dynamics simulations of systems subject to an external periodic drive. We combine the exact-factorization formalism, allowing to treat electron-nuclear systems in…

Nonseparability - multipartite states that cannot be factorized - is one of the most striking features of quantum mechanics, as it gives rise to entanglement and non-causal correlations. In quantum computing, it also contributes directly to…

Friction at water-carbon interfaces remains a major puzzle with theories and simulations unable to explain experimental trends in nanoscale waterflow. A recent theoretical framework -- quantum friction (QF)-- proposes to resolve these…