相关论文: Linear free energy relationships in electrostatic …
The electron correlations in narrow energy bands are examined in framework of the Hubbard model. The single-particle Green function and energy spectrum are obtained in paramagnetic state at half-filling by means of new two-pole…
Chemical affinities are responsible for driving active matter systems out of equilibrium. At the nano-scale, molecular machines interact with the surrounding environment and are subjected to external forces. The mechano-chemical coupling…
The coupling of photons with (ultra-) relativistic atomic nuclei is presented in two particular circumstances: very high electromagnetic fields and very short photon pulses. We consider a typical situation where the (bare) nuclei (fully…
The electron residual energy originated from the stochastic heating in under-dense field-ionized plasma is here investigated. The optical response of plasma is initially modeled by using the concept of two counter-propagating…
Alkali vapor cells with antirelaxation coating (especially paraffin-coated cells) have been a central tool in optical pumping and atomic spectroscopy experiments for 50 years. We have discovered a dramatic change of the alkali vapor density…
We illustrate some of the static and dynamic relations discovered by Cohen, Crooks, Evans, Jarzynski, Kirkwood, Morriss, Searles, and Zwanzig. These relations link nonequilibrium processes to equilibrium isothermal free energy changes and…
The influence of hypothetical new interactions beyond the Standard Model on atomic spectra has attracted recent interest. In the present work, interelectronic photon-exchange corrections and radiative quantum electrodynamic corrections to…
Estimating the effective energy, $E_\text{eff}$ of a stationary probability distribution is a challenge for non-equilibrium steady states. Its solution could offer a novel framework for describing and analyzing non-equilibrium systems. In…
Electrochemical kinetics at electrode-electrolyte interfaces limit performance of devices including fuel cells and batteries. While the importance of moving beyond Butler-Volmer kinetics and incorporating the effect of electronic density of…
Recent theoretical studies have explored how ultra-strong light--matter coupling can be used as a handle to control chemical transformations. {\em Ab initio} cavity quantum electrodynamics (QED) calculations demonstrate that large changes…
How does an electrochemical interface respond to changes in the electrode potential? How does the response affect the key properties of the system - energetics, excess charge, capacitance? Essential questions key to ab-initio simulations of…
Absolute cross sections are measured for charge-exchange, ionization, and excitation within the same experimental setup for the Li$^{+}-$Ar, K$^{+}-$ Ar, and Na$^{+}-$ He collisions in the ion energy range $0.5-10$ keV. Results of our…
Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these…
Advances in the ability to manipulate free electron phase profiles within the electron microscope have spurred development of quantum-mechanical descriptions of electron energy loss (EEL) processes involving transitions between phase-shaped…
The solid-liquid interface free energy \gamma sl is a key parameter controlling nucleation and growth during solidification and other phenomena. There are intrinsic difficulties in obtaining accurate experimental values, and the previous…
Time-dependent response theories are foundational to the development of algorithms that determine quantum properties of electronic excited states of molecules and periodic systems. They are employed in wave-function, density-functional, and…
The free energy of mixing and the entropy of mixing for Cu$_{x}$Al$_{1-x}$ liquid binary alloys have been systematically investigated by using the electronic theory of metals along with the perturbation approach at a thermodynamic state…
The physical mechanism of nuclear reactions at low energies caused by spatial extension of electron is considered. Nuclear reactions of this type represent intra-electronic processes, more precisely, the processes occurring inside the area…
Motivated by the considerable importance of material properties in modern condensed matter physics research, and using techniques of the $N_{e}$ -electron systems in terms of the electron density $n_{\sigma e}\left( r\right) $ needed to…
Collisionless shocks play an important role in space and astrophysical plasmas by irreversibly converting the energy of the incoming supersonic plasma flows into other forms, including plasma heat, particle acceleration, and electromagnetic…