Related papers: Unphysical Discontinuities in GW Methods
The decay rate of quasiparticles in quantum dots is studied through the real time calculation of the single-particle Green function in the self-consistent approximation. The method avoids exact diagonalization, transforming the problem into…
We prove the local existence and uniqueness of solutions to a system of quasi-linear wave equations involving a jump discontinuity in the lower order terms. A continuation principle is also established.
Using quasiparticle self-consistent $GW$ calculations, we re-examined the electronic structure of Sr$_2$RuO$_4$ and SrRuO$_3$. Our calculations show that the correlation effects beyond the conventional LDA (local density approximation) and…
The discontinuity, or imaginary part of a self-energy at finite temperature is proportional to the rate at which the corresponding particles are produced when very few of them are present, and also to the rate at which their phase space…
We develop a formalism to calculate the quasi-particle energy within the GW many-body perturbation correction to the density functional theory (DFT). The occupied and virtual orbitals of the Kohn-Sham (KS) Hamiltonian are replaced by…
The electronic structure of surfaces and interfaces plays a key role in the properties of quantum devices. Here, we study the electronic structure of realistic Al/InAs/Al heterojunctions using a combination of density functional theory…
We apply the quasiparticle self-consistent GW method (QSGW) to slab models of ionic materials, LiF, KF, NaCl, MgO, and CaO, under electric field. Then we obtain the optical dielectric constants E(Slab) from the differences of the slopes of…
Correlations between different regions of a quantum many-body system can be quantified through measures based on entropies of (reduced) subsystem states. For closed systems, several analytical and numerical tools, e.g., hydrodynamic…
While highly successful, density functional theory is known to have limitations owing to its neglect of many-body electron-electron interactions. This neglect leads to errors in the single-particle energies, leading to underestimated band…
The analytic continuation of the GW self-energy from the imaginary to the real energy axis is a central difficulty for approaches exploiting the favourable properties of response functions at imaginary frequencies. Within a scheme merging…
Room temperature ionic liquids play an important role in many technological applications and a detailed understanding of their frontier molecular orbitals is required to optimize interfacial barriers, reactivity and stability with respect…
Superconducting qubits hold promise for quantum computing, but their operation is challenged by various sources of noise, including excitations known as quasiparticles. Qubits with gap asymmetry larger than their transition energy are less…
Repeated observations of inhomogeneity in cuperate superconductors[1-5] make one immediately question the existance of coherent quasiparticles(qp's) and the applicability of a momentum space picture. Yet, obversations of interference…
One of the most successful paradigms of many-body physics is the concept of quasiparticles: excitations in strongly interacting matter behaving like weakly interacting particles in free space. Quasiparticles in metals are very robust…
Partial solvability plays an important role in the context of statistical mechanics, since it has turned out to be closely related to the emergence of quantum many-body scar states, i.e., exceptional energy eigenstates which do not obey the…
The formation and motion of lattice defects such as cracks, dislocations, or grain boundaries, occurs when the lattice configuration loses stability, that is, when an eigenvalue of the Hessian of the lattice energy functional becomes…
The $GW$ approximation to many-body perturbation theory is a reliable tool for describing charged electronic excitations, and it has been successfully applied to a wide range of extended systems for several decades using a plane-wave basis.…
We find the coordinate space wave functions, maximal localization states, and quasiposition wave functions in a GUP framework that implies a minimal length uncertainty using a formally self-adjoint representation. We show that how the…
We investigate the performance of the GW approximation by comparison to exact results for small model systems. The role of the chemical potentials in Dyson's equation as well as the consequences of numerical resonance broadening are…
Finding an accurate ab initio approach for calculating the electronic properties of transition metal oxides has been a problem for several decades. In this paper, we investigate the electronic structure of the transition metal monoxides…