Related papers: Cluster coherent potential approximation for elect…
It is long known that the best single-site coherent potential approximation (CPA) falls short of describing Anderson localization (AL). Here, we study a binary alloy disorder (or equivalently, a spinless Falicov-Kimball (FK)) model and…
Problems involving disordered systems are usually analyzed for systems with random disorder. However, there are many systems in which the main disorder involves clusters with correlated differences between their properties and those of the…
We apply the Coherent Potential Approximation (CPA) to a simple extended Hubbard model with a nearest and next nearest neighbour hopping for disordered superconductors with s-, d- and p-wave pairing. We show how the Van Hove singularities…
Principal component analysis (PCA), the most popular dimension-reduction technique, has been used to analyze high-dimensional data in many areas. It discovers the homogeneity within the data and creates a reduced feature space to capture as…
Starting from the Random Phase Approximation (RPA), we generalize the schematic model of separable interaction defning subspaces of ph excitations with different coupling constants between them. This ansatz simplifies the RPA eigenvalue…
Practical applications of fragment embedding and closely related local correlation methods critically depend on a judicious choice of a low-level theory to define the local embedding subspace and to capture long-range electrostatic and…
We propose a new treatment of the Hubbard model that is based both on the coherent-potential approximation (CPA) and the virtual-crystal approximation (VCA). It is well known that the equilibrium found using the one-particle CPA Green's…
A coherent description of the anomalous Hall effect (AHE) is presented that is applicable to pure as well as disordered alloy systems by treating all sources of the AHE on equal footing. This is achieved by an implementation of the…
The effect of disorder on lattice vibrational modes has been a topic of interest for several decades. In this work, we employ a Green's function based approach, namely the dynamical cluster approximation (DCA), to investigate phonons in…
We show, using quasi-exact numerical simulations, that Anderson localization of one-dimensional particles in a disordered potential survives in the presence of attractive interaction between particles. The localization length of the…
The dynamical cluster approximation (DCA) is a quantum cluster extension to the single-site dynamical mean-field theory that incorporates spatially nonlocal dynamic correlations systematically and nonperturbatively. The DCA$^+$ algorithm…
We propose a streamlined combination scheme of the transcorrelation (TC) and coupled cluster (CC) theory, which not only increases the convergence rate with respect to the basis set, but also extends the applicability of the lowest order CC…
Coupled cluster theory provides hierarchical many-particle models and is presently considered as the ultimate benchmark in quantum chemistry. Despite is practical significance, a rigorous mathematical analysis of its properties is still in…
The ground state equilibrium properties of copper-gold alloys have been explored with the state of art random phase approximation (RPA). Our estimated lattice constants agree with the experiment within a mean absolute percentage error…
Size extensivity, defined as the correct scaling of energy with system size, is a desirable property for any many-body method. Traditional CI methods are not size extensive hence the error increases as the system gets larger. Coupled…
In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the…
Principal Component Analysis (PCA) is a powerful tool in statistics and machine learning. While existing study of PCA focuses on the recovery of principal components and their associated eigenvalues, there are few precise characterizations…
We present a longitudinal electrical conductivity calculation method for disordered alloys applicable from a wide range of density functional theory (DFT) codes based on the first-principles Wannier-based coherent potential approximation…
We present an analytic proof demonstrating the equivalence between the Random Phase Approximation (RPA) to the ground state correlation energy and a ring-diagram simplification of the Coupled Cluster Doubles (CCD) equations. In the CCD…
We employ Random Matrix Theory in order to investigate coherent perfect absorption (CPA) in lossy systems with complex internal dynamics. The loss strength $\gamma_{\rm CPA}$ and energy $E_{\rm CPA}$, for which a CPA occurs are expressed in…