相关论文: Fractional charge and spin errors in self-consiste…

We develop a time dependent second order Green's function theory (GF2) for calculating neutral excited states in molecules. The equation of motion for the lesser Green's function (GF) is derived within the adiabatic approximation to the…

The next to leading order chiral corrections to the $SU(2)\times SU(2)$ Gell-Mann-Oakes-Renner (GMOR) relation are obtained using the pseudoscalar correlator to five-loop order in perturbative QCD, together with new finite energy sum rules…

We study the multifractality (MF) of critical wave functions at boundaries and corners at the metal-insulator transition (MIT) for noninteracting electrons in the two-dimensional (2D) spin-orbit (symplectic) universality class. We find that…

We report an efficient implementation of a second-order multireference perturbation theory based on the driven similarity renormalization group (DSRG-MRPT2) [C. Li and F. A. Evangelista, J. Chem. Theory Comput. 11, 2097 (2015)]. Our…

We study effects of charge self-consistency within the combination of density functional theory (DFT; Wien2k) with dynamical mean field theory (DMFT; w2dynamics) in a basis of maximally localized Wannier orbitals. Using the example of two…

Density Functional Theory has long struggled to obtain the exact exchange-correlational (XC) functional. Numerous approximations have been designed with the hope of achieving chemical accuracy. However, designing a functional involves…

Mermin's dielectric function [N.D. Mermin, Phys. Rev. B 1, 2362 (1970)] is widely assumed to satisfy the f-sum rule because he constrains his ansatz with the continuity equation. However, we identify a moment-closure problem in Mermin's use…

We derive the second-order approximation (PT2) to the ensemble correlation energy functional by applying the G\"{o}rling-Levy perturbation theory on the ensemble density-functional theory (EDFT). Its performance is checked by calculating…

The spin response functions measured in multi-component fermion gases by means of rf transitions between hyperfine states are strongly constrained by the symmetry of the interatomic interactions. Such constraints are reflected in the spin…

The Coulomb Green's function (GF) for non-relativistic charged particle in field of attractive Coulomb force is extended to describe the interaction of two non-relativistic electrons through repulsive Coulomb forces. Closed-form expressions…

We consider the effective field theory of multiple interacting massive spin-2 fields. We focus on the case where the interactions are chosen so that the cutoff is the highest possible, and highlight two distinct classes of theories. In the…

The convergence property of a stochastic algorithm for the self-consistent field (SCF) calculations of electron structures is studied. The algorithm is formulated by rewriting the electron charges as a trace/diagonal of a matrix function,…

One-particle Green's function methods can model molecular and solid spectra at zero or non-zero temperatures. One-particle Green's functions directly provide electronic energies and one-particle properties, such as dipole moment. However,…

We propose a multiconfigurational hybrid density-functional theory which rigorously combines a multiconfiguration self-consistent-field calculation with a density-functional approximation based on a linear decomposition of the…

We present an embedding scheme for periodic systems that facilitates the treatment of the physically important part (here the unit cell) with advanced electronic-structure methods, that are computationally too expensive for periodic…

We apply the dual fermion approach with a second-order approximation to the self-energy to the Mott transition in the two-dimensional Hubbard model. The approximation captures nonlocal dynamical short-range correlations as well as several…

We compute the DC and the optical conductivity of graphene for finite values of the chemical potential by taking into account the effect of disorder, due to mid-gap states (unitary scatterers) and charged impurities, and the effect of both…

The frustrated ladder with alternate ferromagnetic(F) exchange $-J_F$ and AF exchange $J_A$ to first neighbors and F exchange $-J_L$ to second neighbors is studied by exact diagonalization (ED) and density matrix renormalization group…

I discuss the 2-flavor Schwinger model both without and with fermion masses. I argue that the concept of "conformal coalescence," in unparticle physics in which linear combinations of short distance operators can disappear from the…

In conformal field theory, key properties of spin-1/2 chains, such as the ground state energy per site and the excitation gap scale with dimerization delta as delta^alpha with known exponents alpha and logarithmic corrections. The…