相关论文: Electronic-enthalpy functional for finite systems …
Using a Krylov-subspace time evolution algorithm, we simulate the real-time dynamics of translation invariant non-integrable finite spin rings to quite long times with high accuracy. We systematically study the finite-size deviation between…
An accurate description of nonadiabatic dynamics of molecular species on metallic surfaces poses a serious computational challenge associated with a multitude of closely-spaced electronic states. We propose a mixed quantum-classical scheme…
This paper tests how effectively the bound states of strongly interacting gauge theories are amenable to an emergent description as a thermal ensemble. This description can be derived from a conjectured minimum free energy principle, with…
We study physical aspects for a new nonlinear electrodynamics (inverse electrodynamics). It is shown that this new electrodynamics displays the vacuum birefringence phenomenon in the presence of external magnetic field, hence we compute the…
Electroosmotic pumping of fluid through a nanopore that traverses an insulating membrane is considered. The density of surface charge on the membrane is assumed uniform, and sufficiently low for the Poisson-Boltzmann equation to be…
Thermal transport in nanostructures plays a critical role in modern technologies. As devices shrink, techniques that can measure thermal properties at nanometer and nanosecond scales are increasingly needed to capture transient,…
A measure of how sensitive the entanglement entropy is in a quantum system, has been proposed and its information geometric origin is discussed. It has been demonstrated for two exactly solvable spin systems, that thermodynamic criticality…
The quantum thermodynamical properties of (quasi-normal) overdamped electromagnetic modes (eddy currents) are investigated in the context of the magnetic Casimir-Polder interaction. The role of the material response in terms of spatially…
Embedded density functional theory (e-DFT) is used to describe the electronic structure of strongly interacting molecular subsystems. We present a general implementation of the Exact Embedding (EE) method [J. Chem. Phys. 133, 084103 (2010)]…
This paper introduces a theory of Thermodynamic Formalism for Iterated Function Systems with Measures (IFSm). We study the spectral properties of the Transfer and Markov operators associated to a IFSm. We introduce variational formulations…
In this work, we investigate the behavior of non-relativistic quantum particles immersed in a cosmic string space-time background. Our study involves the examination of these particles as they interact with a range of influences, including…
The extension of thermodynamic principles to active matter remains a challenge due to the non-equilibrium nature inherent to active systems. In this study, we introduce a framework to assess entropy in our minimal macroscopic experiment…
We study the dynamical behavior of nonlinear coupling in a quantum wave equation of a logarithmic type. Using statistical mechanical arguments for a large class of many-body systems, this coupling is shown to be related to temperature which…
Recent studies have identified materials and devices whose behavior lies beyond the scope of conventional electronic-structure theory. Such theories are formulated entirely in terms of Hamiltonian evolution and therefore describe only…
Entanglement entropy is a fundamental concept with rising importance in different fields ranging from quantum information science, black holes to materials science. In complex materials and systems, entanglement entropy provides insight…
We introduce a systematic framework to calculate the bipartite entanglement entropy of a spatial subsystem in a one-dimensional quantum gas which can be mapped into a noninteracting fermion system. To show the wide range of applicability of…
It was recently shown that the exact potential driving the electron's dynamics in enhanced ionization of H$_2^+$ can have large contributions arising from dynamical electron-nuclear correlation, going beyond what any electrostatics-based…
We analyze a model problem representing a multi-electronic molecule sitting on a metal surface. Working with a reduced configuration interaction Hamiltonian, we show that one can extract very accurate ground state wavefunctions as compared…
We revisit the three-body problem in quantum mechanics in two and three dimensions, generating both exact eigenvalues and eigenvectors of the Hamiltonian and a series of approximate solutions as calculated with a variety of different…
\textit{Ab initio} quantum Monte Carlo (QMC) methods in principle allow for the calculation of exact properties of correlated many-electron systems, but are in general limited to the simulation of a finite number of electrons $N$ in…