Related papers: Pseudopotentials for correlated electron systems
The form factors for the weak currents between B and light mesons are studied by relating them to the corresponding D form factors at q^2_{max} according to HQET, by evaluating them at q^2=0 by QCD sum rules, and by assuming a polar q^2…
A method to simulate local properties and processes in crystals with impurities via constructing cluster models within the frame of the compound-tunable embedding potential (CTEP) and highly-accurate {\it ab initio} relativistic…
Methods for estimating the correlation energy of molecules and other electronic systems are discussed based on the assumption that the correlation energy can be partitioned between atomic regions. In one method, the electron density is…
We study the quantum transition from an antiferromagnet to a superconductor in a model for electron- and hole-doped cuprates by means of a variational cluster perturbation theory approach. In both cases, our results suggest a tendency…
The pseudopotentials of particle interaction of astrongly coupled semiclassical plasma, taking into account bothquantum-mechanical effects of diffraction at short distances andalso screening field effects at large distances are obtained.…
We generalize the concept of quasiparticle for one-dimensional (1D) interacting electronic systems. The $\uparrow $ and $\downarrow $ quasiparticles recombine the pseudoparticle colors $c$ and $s$ (charge and spin at zero magnetic field)…
We present pseudo-potential coefficients for the first two rows of the periodic table. The pseudo potential is of a novel analytic form, that gives optimal efficiency in numerical calculations using plane waves as basis set. At most 7…
We present a general method of constructing \textit{in-situ} pseodopotentials from first principles, all-electron, full-potential electronic structure calculations of a solid. The method is applied to bcc Na, at equilibrium volume. The…
Coupled-cluster theories can be used to compute ab initio electronic correlation energies of real materials with systematically improvable accuracy. However, the widely-used coupled cluster singles and doubles plus perturbative triples…
We consider pseudogap effects for electrons interacting with gapless modes. We study both generic 1D semiconductors with acoustic phonons and incommensurate charge density waves. We calculate the subgap absorption as it can be observed by…
We examine the utility of the quadratic pseudospectrum in photonics and condensed matter. Specifically, the quadratic pseudospectrum represents a method for approaching systems with incompatible observables, as it both minimizes the…
We proposed two linear optics based entanglement concentration protocols (ECPs) to obtain maximally entangled 4-mode Cluster-type entangled coherent state (ECS) from less (partially) entangled Cluster-type ECS. The first ECP is designed…
The relation of the rotated-electron site distribution configurations that describe the energy eigenstates of the one-dimensional Hubbard model to the momentum occupancy configurations of the same states associated with the Bethe ansatz…
A new electronic structure model is developed in which the ground state energy of a molecular system is given by a Hartree-Fock-like expression with parametrized one- and two-electron integrals over an extended (minimal + polarization) set…
In the hole-doped cuprates, the pseudogap refers to a suppression of the density of states at low energies, in the absence of superconducting long-range order. Numerous calculations of the Hubbard model show a pseudogap in the…
Projected Hartree-Fock theory provides an accurate description of many kinds of strong correlations but does not properly describe weakly-correlated systems. On the other hand, single-reference methods such as configuration interaction or…
We propose a simple scheme to construct composition-dependent interatomic potentials for multicomponent systems that when superposed onto the potentials for the pure elements can reproduce not only the heat of mixing of the solid solution…
Cohesive energies for twelve cubic III-V semiconductors with zincblende structure have been determined using an ab-initio scheme. Correlation contributions, in particular, have been evaluated using the coupled-cluster approach with single…
A gas of ultracold molecules interacting via the long-range dipolar potential offers a highly controlled environment in which to study strongly correlated phases. However, at particle coalescence the divergent $1/r^3$ dipolar potential and…
A way to account for correlations between the chemically active (valence) and innermore (core) electrons in the framework of the generalized relativistic effective core potential (GRECP) method is suggested. The "correlated" GRECP's…