Related papers: Explicitly correlated plane waves: Accelerating co…
We design a quantum molecular dynamics method for strongly correlated electron metals. The strong electronic correlation effects are treated within a real-space version of the Gutzwiller variational approximation (GA), which is suitable for…
We introduce a new type of Gutzwiller variational wavefunction for correlated electrons coupled to phonons, able to treat on equal footing electronic and lattice degrees of freedom. We benchmark the wavefunction in the infinite-$U$…
We propose a novel approach to electron correlation for multireference systems. It is based on particle-hole (ph) and particle-particle (pp) theories in the second-order, developed in the random phase approximation (RPA) framework for…
A method is presented for the optimization of one-body and inhomogeneous two-body terms in correlated electronic wave functions of Jastrow-Slater type. The most general form of inhomogeneous correlation term which is compatible with crystal…
Electronic correlation energies from the random-phase approximation converge slowly with respect to the plane wave basis set size. We study the conditions, under which a short-range local density functional can be used to account for the…
Closed-form expressions for all matrix elements required for variational calculation of the electronic structure of periodic solids have been derived using a basis of explicitly correlated Gaussians (ECGs). Periodic basis functions are…
We study the charge-density dynamics within the two-dimensional extended Hubbard model in the presence of long-range Coulomb interaction across the metal-insulator transition point. To take into account strong correlations we start from…
The momentum-dependent local-ansatz (MLA) wavefunction describes well correlated electrons in solids in both the weak and strong interaction regimes. In order to apply the theory to the realistic system, we have extended the MLA to the…
For an electron in the plane subjected to a perpendicular constant magnetic field and a homogeneous Gaussian random potential with a Gau{ss}ian covariance function we approximate the averaged density of states restricted to the lowest…
The effective interaction between two planar walls immersed in a fluid is investigated by use of Density Functional Theory in the super-critical region of the phase diagram. A hard core Yukawa model of fluid is studied with special…
Two-dimensional moire superlattices have recently emerged as a fertile ground for creating novel electronic phases of matter with unprecedented control. Despite intensive efforts, theoretical investigation of correlated moire systems has…
We show how easy it is to get the Sommerfeld enhancement for a Yukawa potential, for definite partial waves, beyond the S wave analyzed in previous literature. In particular, we report results for the P wave (for which there is a resonant…
Thermally excited phonon spectra of 2D Yukawa solids and liquids in the presence of an external magnetic field are studied using computer simulations. Special attention is paid to the variation of wave spectra in terms of several key…
By doing quantum Monte Carlo ab initio simulations we show that dipolar excitons, which are now under experimental study, actually are strongly correlated systems. Strong correlations manifest in significant deviations of excitation spectra…
Using one-range addition theorems for noninteger n Slater type orbitals and Coulomb-Yukawa like correlated interaction potentials with noninteger indices obtained by the author with the help of complete orthonormal sets of exponential type…
We investigate the structure of a binary mixture of particles interacting via purely repulsive (point) Yukawa pair potentials with a common inverse screening length $\lambda$. Using the hyper-netted chain closure to the Ornstein-Zernike…
The original formulation (Phys. Rev. Lett. 119, 063002, 2017) of the natural orbital functional - second-order M{\o}ller-Plesset (NOF-MP2) method is based on the MP2 that uses the canonical Hartree-Fock molecular orbitals. The current work…
The modeling and removal of foregrounds poses a major challenge to searches for signals from inflation using the cosmic microwave background (CMB). In particular, the modeling of CMB foregrounds including various spatial averaging effects…
The excitation spectra of two-dimensional strongly coupled (liquid-like) Yukawa systems under the influence of a magnetic field perpendicular to the plane are found to sustain additional high-frequency modes at multiples of the…
Diffusion of electrons in two-dimensional disordered systems with spin-orbit interactions is investigated numerically. Asymptotic behaviors of the second moment of the wave packet and of the temporal auto-correlation function are examined.…