相关论文: Testing the GFCCSD impurity solver on real materia…
We introduce real-time density matrix embedding theory (DMET), a dynamical quantum embedding theory for computing non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static DMET, real-time DMET…
Quantitative descriptions of strongly correlated materials pose a considerable challenge in condensed matter physics and chemistry. A promising approach to address this problem is quantum embedding methods. In particular, the dynamical…
In this paper, we present a multiscale method for simulations of the multicontinua unsaturated flow problems in heterogeneous fractured porous media. The mathematical model is described by the system of Richards equations for each continuum…
We present algorithmic and implementation details for the fully self-consistent finite-temperature $GW$ method in Gaussian Bloch orbitals for solids. Our implementation is based on the finite-temperature Green's function formalism in which…
Tailored coupled cluster theory represents a computationally inexpensive way to describe static and dynamical electron correlation effects. In this work, we scrutinize the performance of various tailored coupled cluster methods externally…
This work deals with systems of two real scalar fields coupled to impurity functions, meant to model inhomogeneities often encountered in real physical applications. We investigate the theoretical properties of these systems and some of the…
The cost of the exact solution of the many-electron problem is believed to be exponential in the number of degrees of freedom, necessitating approximations that are controlled and accurate but numerically tractable. In this paper, we show…
The two-particle-self-consistent theory is applied to the single-impurity Anderson model. It is found that it cannot reproduce the small energy scale in the strong correlation limit. A modified scheme to overcome this difficulty is proposed…
The Anderson model for a single impurity coupled to two leads is studied using the $GW$ approximation in the strong electron-electron interaction regime as a function of the alignment of the impurity level relative to the chemical…
This PhD thesis conducts a focused study of strongly correlated materials with localized electron orbitals. We have studied two real materials (LuNiO$_3$ and VO$_2$) and one model system, i.e., the Anderson impurity model. The thesis is…
We examine theoretically and experimentally the localized %and extended electrical modes existing in a bi-inductive electrical lattice containing a bulk or a surface capacitive impurity. By means of the formalism of lattice Green's…
A few self-consistent schemes to solve the Hedin equations are presented. They include vertex corrections of different complexity. Commonly used quasiparticle approximation for the Green function and static approximation for the screened…
We present the exact Bethe Ansatz solution of a multichannel model of one- dimensional correlated electrons coupled antiferromagnetically to a magnetic impurity of arbitrary spin S. The solution reveals that interactions in the bulk make…
We study the local density of states around potential scatterers in d-wave superconductors, and show that quantum interference between impurity states is not negligible for experimentally relevant impurity concentrations. The two impurity…
We study in this paper a non-equilibrium Fermi-edge problem where the system under investigation is a single electron reservoir putting under an AC electric field. We show that the electron Green's function and other correlation functions…
The algorithm to calculate the generating function for the number of ``skeleton'' diagrams for the irreducible self-energy and vertex parts is derived for the problems with Gaussian random fields. We find an exact recurrence relation…
Exact results for the thermodynamic properties of ensembles of magnetic impurities with randomly distributed host-impurity couplings in the quantum antiferromagnetic Heisenberg model are presented. Exact calculations are done for arbitrary…
By an accurate Green's function method we calculate conductances and the corresponding Giant Magneto-Resistance effects (GMR) of two metallic ferromagnetic films separated by different spacers, metallic and non-metallic ones, in a…
Accurate wave-function descriptions of pristine and defected solids remain challenging due to the simultaneous presence of finite-size, basis-set, and correlation errors. While embedding techniques alleviate finite-size effects and…
In this study, we introduce a novel implementation of density functional theory integrated with single-site dynamical mean-field theory to investigate the complex properties of strongly correlated materials. This comprehensive…