Related papers: Coordination-resolved scoping of local bond relaxa…
Despite recent numerical evidence, one of the fundamental theoretical mysteries of polaritonic chemistry is how and if collective strong coupling can induce local changes of the electronic structure to modify chemical properties. Here we…
Disclination configurations of a nematic liquid crystal are studied within a self-consistent molecular field theory. The theory is based on a tensor order parameter, and can accommodate anisotropic elastic energies without the known…
Non-bonded interactions govern structure, stability, and function across a wide range of solid-state materials, yet their chemical origins are often difficult to resolve from total energies alone. Here we generalize absolutely localized…
Strongly enhanced quantum fluctuations often lead to a rich variety of quantum-disordered states. A representative case is liquid helium, in which zero-point vibrations of the helium atoms prevent its solidification at low temperatures. A…
Motivated by recent high-resolution scanning tunneling microscopy (STM) experiments in the quantum Hall regime both on massive two-dimensional electron gas and on graphene, we consider theoretically the disorder averaged nonlocal…
For the two-dimensional electron gas, the exact high-density limit of the correlation energy is evaluated here numerically for all values of the spin polarization. The result is spin-resolved into $\uparrow\uparrow$, $\uparrow\downarrow$,…
The energy relaxation in the spin-polarized disordered electron systems is studied in the diffusive regime. We derived the quantum kinetic equation in which the kernel of electron-electron collision integral explicitly depends on the…
The mode-coupling theory of the glass transition treats the dynamics of supercooled liquids in terms of two-point density correlation functions. Here we consider a generalized, hierarchical formulation of schematic mode-coupling equations…
Using the conventional $T$-matrix approach, we discuss gapped phases in 1D, 2D, and 3D spin systems (both with and without a long range magnetic order) with bond disorder and with weakly interacting bosonic elementary excitations. This work…
Exact thermal studies of small (4-site, 5-site and 8-site) Hubbard clusters with local electron repulsion yield intriguing insight into phase separation, charge-spin separation, pseudogaps, condensation, in particular, pairing fluctuations…
A perturbation theory scheme in terms of electron hopping, which is based on the Wick theorem for Hubbard operators, is developed. Diagrammatic series contain single-site vertices connected by hopping lines and it is shown that for each…
Most elemental metals under ambient conditions adopt simple structures such as BCC, FCC and HCP in specific groupings across the Periodic Table, and on compression, many of these elements undergo transitions to surprisingly complex…
The control of energy dissipation in non-spherical particle contact remains an unresolved problem. Unlike spherical contact, where the interaction reduces to a one-dimensional normal oscillator, both the effective inertia and the effective…
We use considerations of energy balance and dissipation to derive a self-consistent version of the shear-transformation-zone (STZ) theory of plastic deformation in amorphous solids. The theory is generalized to include arbitrary spatial…
Differential cross sections are computed for the title polar molecule using static interaction, exchange forces and correlation-polarisation effects as described in detail in the main text. The dipole effect is also reported via the dipole…
Using a theory of polarizable fluids, we extend a variational treatment of an excess electron to the many-electron case corresponding to finite metal concentrations in metal-ammonia solutions (MAS). We evaluate dielectric, optical, and…
A modified Poisson-Nernst-Planck system in a bounded domain with mixed Dirichlet-Neumann boundary conditions is analyzed. It describes the concentrations of ions immersed in a polar solvent and the correlated electric potential due to the…
After almost half a century since the work of Anderson [Phys. Rev. {\bf 109}, 1492 (1958)], at present there is no well established theoretical framework for understanding the dynamics of interacting particles in the presence of disorder.…
We overview recent developments of electronic orderings and associated cross correlations in condensed matter physics based on a complete set of multipole representations (electric, magnetic, electric toroidal, and magnetic toroidal…
We develop of a field-theoretic approach for the treatment of both the non-local and the non-linear response of structured liquid dielectrics. Our systems of interest are composed of dipolar solvent molecules and simple salt cations and…