相关论文: Exploring approximations to the GW self-energy ion…
In strong magnetic fields, massless electrons in graphene populate relativistic Landau levels with the square-root dependence of each level energy on its number and magnetic field. Interaction-induced deviations from this single-particle…
Recent angle-resolved photoemission spectroscopy (ARPES) experiments on a kagome metal CsV$_3$Sb$_5$ revealed distinct multimodal dispersion kinks and nodeless superconducting gaps across multiple electron bands. The prominent photoemission…
We derive a formalism, the separation method, for the efficient and accurate calculation of two-body matrix elements for a Gaussian potential in the cylindrical harmonic-oscillator basis. This formalism is of critical importance for…
Cyclotron resonance in graphene is studied with focus on many-body corrections to the resonance energies, which evade Kohn's theorem. The genuine many-body corrections turn out to derive from vacuum polarization, specific to graphene, which…
yambo is an open source project aimed at studying excited state properties of condensed matter systems from first principles using many-body methods. As input, yambo requires ground state electronic structure data as computed by density…
Model Hamiltonians with long-range interaction yield energies that are corrected taking into account the universal behavior of the electron-electron interaction at short range. Although the intention of the paper is to explore the…
The effective mass approximation is analysed in a nonperturbative kinetic theory approach to strong field excitations in graphene [1,2]. This problem is highly actual for the investigation of quantum radiation from graphene [3], where the…
This paper presents a hybridized formulation for the weak Galerkin mixed finite element method (WG-MFEM) which was introduced and analyzed for second order elliptic equations. The WG-MFEM method was designed by using discontinuous piecewise…
We develop a theory for quantum phases and quantum multicriticality in bilayer graphene in the presence of an explicit energy gap in the non-interacting spectrum by extending previous renormalization group (RG) analyses of electron-electron…
Starting from an asymptotically correct three-body Coulomb wave-function, we determine the effect of Coulomb final state interaction on the three-particle Bose-Einstein correlation function of similarly charged particles. We numerically…
Precise and accurate predictions of the two-dimensional (2D) material's fundamental gap are crucial for next-generation flexible electronic and photonic devices. We, therefore, evaluated the predictivity of the GW approach in its several…
Reliable computational methodologies and basis sets for modeling x-ray spectra are essential for extracting and interpreting electronic and structural information from experimental x-ray spectra. In particular, the trade-off between…
We study within the many-body Green's function GW and Bethe-Salpeter formalisms the excitation energies of a paradigmatic model dipeptide, focusing on the four lowest-lying local and charge-transfer excitations. Our GW calculations are…
This study examines how the GW approximation, one of the techniques covered by Green's functions and on many-body approximations (GFMBA), fares compared to the treatment of the Hubbard model solved using an exact diagonalization (ED)…
A new implementation of the GW approximation (GWA) based on the all-electron Projector-Augmented-Wave method (PAW) is presented, where the screened Coulomb interaction is computed within the Random Phase Approximation (RPA) instead of the…
Treating electron correlation more accurately and efficiently is at the heart of the development of electronic structure methods. In the present work, we explore the use of stochastic approaches to evaluate high-order electron correlation…
An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The…
Lowest bound S-state energy of Coulomb three-body systems ($N^{Z+}\mu^-e^-$) having a positively charged nucleus of charge number Z ($N^{Z+}$), a negatively charged muon ($\mu^-$) and an electron ($e^-$), is investigated in the framework of…
An efficient all-electron G$^0$W$^0$ method and a quasiparticle selfconsistent GW (QSGW) method for molecules are proposed in the molecular orbital space with the full random phase approximation. The convergence with basis set is examined.…
We provide an in-depth examination of the $GW$ approximation of Green's function many-body perturbation theory by detailing both its theoretical and practical aspects in the realm of quantum chemistry. First, the quasiparticle context is…