相关论文: Missing short-range interactions in the hydrogen b…
The condensation energy of the homogeneous electron gas is calculated within the density functional theory for superconductors. Purely electronic considerations include the exchange energy exactly and the correlation energy on a level of…
It is possible to place constraints on non-Standard-Model gauge-boson self-couplings and other new physics by studying their one-loop contributions to precisely measured observables. We extend previous analyses which constrain such…
We investigate the statistical mechanics of an inhomogeneous Coulomb fluid composed of charged particles with static polarizability. We derive the weak- and the strong-coupling approximations and evaluate the partition function in a planar…
We report a computer simulation study of a model gel-former obtained by modifying the three-body interactions of the Stillinger-Weber potential for silicon. This modification reduces the average coordination number and consequently shifts…
We use extensive first-principles quantum mechanical calculations to show that, although the static lattice and harmonic vibrational energies are almost identical, the anharmonic vibrational energy of hexagonal ice is significantly lower…
We study the temperature dependence of static and dynamic responses of Coulomb interacting particles in two-dimensional traps across the thermal crossover from an amorphous solid- to liquid-like behaviors. While static correlations, that…
One- to three-dimensional hypercubic lattices half-filled with localized particles interacting via the long-range Coulomb potential are investigated numerically. The temperature dependences of specific heat, mean staggered occupation, and…
For many-body systems with short range interaction a series of relations were derived connecting many properties of the system to the dynamics of a closely packed few-body subsystems. Some of these relations were experimentally verified in…
The object of this study is the kinetic process of solid-liquid first-order phase transition - melting of carbon dioxide CS-I hydrate with various cavity occupation ratios. The work was done within a framework of study on the local…
The combination of density functional theory with other approaches to the many-electron problem through the separation of the electron-electron interaction into a short-range and a long-range contribution is a promising method, which is…
Machine-learning electronic Hamiltonians achieve orders-of-magnitude speedups over density-functional theory, yet current models omit long-range Coulomb interactions that govern physics in polar crystals and heterostructures. We derive…
We consider a screened Coulomb interaction between electrons in graphene and determine their dynamic response functions, such as a longitudinal and a transverse electric conductivity and a polarization function and compare them to the…
Suppression of electron motion under an alternating current (AC) electric field is examined in a one-dimensional Hubbard model. Utilizing three complementary calculation methods, it is found unambiguously that magnitudes of the…
High pressure behaviour of superhydrous phase B(HT) of Mg10Si3O14(OH)4 (Shy B) is investigated with the help of density functional theory based first principles calculations. In addition to the lattice parameters and equation of state, we…
The physics of an electron solid, held on a cryogenic liquid surface by a pressing electric field, is examined in a low-density regime that has not been explored before. We consider the effect of the pressing field in distorting the surface…
Unlike other unusual materials whose bonds contract under compression, the O:H nonbond undergoes contraction and the H-O bond elongation towards O:H and H-O length symmetry in water and ice. The energy drop of the H-O bond dictates the…
We calculate the ground-state of a two-dimensional electron gas in a short-period lateral potential in magnetic field, with the Coulomb electron-electron interaction included in the Hartree-Fock approximation. For a sufficiently short…
It is observed that interstitial hydrogen nucleii on a metallic lattice are strongly coupled to their near neighbours by the unscreened electromagnetic field mediating transitions between low-lying states. It is shown that the dominant…
We identify the mechanism of slow heterogeneous relaxation in quantum kinetically constrained models (KCMs) in which the potential energy strength is controlled by a coupling parameter. The regime of slow relaxation includes the…
We study the properties of two electrons with Coulomb interactions in a tight-binding model of La-based cuprate superconductors. This tight-binding model is characterized by long-range hopping obtained previously by advanced quantum…