相关论文: How concerted are ionic hops in inorganic solid-st…
We investigate spherical macroions in the strong Coulomb coupling regime within the primitive model in salt-free environment. We first show that the ground state of an isolated colloid is naturally overcharged by simple electrostatic…
We present a highly efficient method to directly simulate the photodissociation followed by Coulomb explosion of methyl iodide. In order to achieve statistical reliability, more than 40,000 trajectories are calculated on accurate potential…
We study the Stokes-Einstein (SE) and the Stokes-Einstein-Debye (SED) relations using molecular dynamics simulations of the extended simple point charge model of water. We find that both the SE and SED relations break down at low…
This paper presents a quantitative analysis of the impact of inelastic collisions of ultra-relativistic electrons and positrons, passing through oriented crystalline targets, on the channeling efficiency and on the intensity of the…
We combine extensive precision measurements of the optically detected spin dynamics and magneto-transport measurements in a contiguous set of n-doped bulk GaAs structures in order to unambiguously unravel the intriguing but complex…
We make use of a Hylleraas-type wave function to derive an exact analytical model to quantify correlation in two-electron atomic/ionic systems and subsequently employ it to examine the role of inter-electronic repulsion in affecting (i) the…
We have observed a Bose-Einstein Condensate in a dilute gas of $^4$He in the $2^3S_1$ metastable state. We find a critical temperature of $(4.7\pm0.5) \mu$K and a typical number of atoms at the threshold of $8\times10^6$. The maximum number…
In seasonally ice-covered seas and along the margins of perennial ice pack, i.e. in regions with medium ice concentrations, the ice cover typically consists of separate floes interacting with each other by inelastic collisions. In this…
We study the abundances of the elements He through Pb in Fe-rich impulsive solar energetic-particle (SEP) events with measurable abundances of ions with atomic number Z>2 observed on the Wind spacecraft, and their relationship with coronal…
It has been proposed that at small Bjorken $x$, or equivalently at high energy, hadrons represent maximally entangled states of quarks and gluons. This conjecture is in accord with experimental data from the electron-proton collider HERA at…
Electronic stopping cross sections (SCS) of nickel, silicon and nickel-silicon alloys for protons and helium (He) ions are studied in the regime of medium and low energy ion scattering, i.e., for ion energies in the range from 500 eV to 200…
We predict the thermodynamic behavior of bulk electrolytes from an ionic Hard-Core (HC) size-augmented self-consistent formalism incorporating asymmetrically the short- and long-range ion interactions via their virial and cumulant…
The influences of water molecules surrounding biological molecules during irradiation with heavy particles (atoms,ions) are currently a major subject in radiation science on a molecular level. In order to elucidate the underlying complex…
The equation of motion coupled cluster singles and doubles model (EOM-CCSD) is an accurate, black-box correlated electronic structure approach to investigate electronically excited states and electron attachment or detachment processes. It…
The electron-hole states of semiconductor quantum dots are investigated within the framework of empirical tight-binding descriptions for Si, as an example of an indirect gap material, and InAs and CdSe as examples of typical III-V and II-VI…
Standing slow-mode waves have been recently observed in flaring loops by the Atmospheric Imaging Assembly (AIA) of the Solar Dynamics Observatory (SDO). By means of the coronal seismology technique transport coefficients in hot ($\sim$10…
We present numerical evidence that the hopping of electrons between chains described by the $t-J$ model is coherent in the integrable cases ($J=0$ and $J=2$) and essentially incoherent otherwise. This effect is {\it not} related to the…
Interactions of solitary waves in a cylindrically confined Bose-Einstein condensate are investigated by simulating their head-on collisions. Slow vortex rings and fast solitons are found to collide elastically contrary to the situation in…
The propensity for ion-pairing can often dictate the thermodynamic and kinetic properties of electrolyte solutions. Fast and accurate estimates of ion-pairing can thus be extremely valuable for supplementing design and screening efforts for…
Carrier envelope phase (CEP) stabilized pulses of intense 800 nm light of 5 fs duration are used to probe the dissociation dynamics of dications of isotopically-substituted water, HOD. HOD$^{2+}$ dissociates into either H$^+$ + OD$^+$ or…