Related papers: Quasi-Particle Self-Consistent $GW$ for Molecules
The single-particle spectral function of 56Ni has been computed within the framework of self-consistent Green's functions theory. The Faddeev random phase approximation method and the G-matrix technique are used to account for the effects…
The family of Green's function methods based on the $GW$ approximation has gained popularity in the electronic structure theory thanks to its accuracy in weakly correlated systems combined with its cost-effectiveness. Despite this,…
We show that the dynamical Wigner functions for noninteracting fermions and bosons can have complex singularity structures with a number of new solutions accompanying the usual mass-shell dispersion relations. These new shell solutions are…
The ground state and spectral properties of Bose gases in double-well potentials are studied in two different scenarios: i) an interacting atomic Bose gas, and ii) a mixture of an atomic gas interacting with diatomic molecules. A ground…
The $GW$ approximation has become a method of choice for predicting quasiparticle properties in solids and large molecular systems, owing to its favorable accuracy-cost balance. However, its accuracy is the result of a fortuitous…
We present a novel method for improving the quantum simulation of the ground state energy of molecules. We perform a pre-processing step classically, which reduces the dimensionality of the problem by generating a custom mapping which…
We give the alternative formulation of quasiparticle model of quark gluon plasma with medium dependent dispersion relation. The model is thermodynamically consistent provided the medium dependent contribution to the energy density is taken…
We introduce a systematic hierarchy of one-body Green's function methods derived from the $GW$ approximation, constructed by progressively reducing the dynamical content of the self-energy. Starting from the fully dynamical Dyson…
We revisit and extend the calculation of the density matrix and entanglement entropy of a Color Glass Condensate by including the leading saturation corrections in the calculation. We show that the density matrix is diagonal in the quasi…
Quantum computational chemistry has emerged as an important application of quantum computing. Hybrid quantum-classical computing methods, such as variational quantum eigensolvers (VQE), have been designed as promising solutions to quantum…
To obtain accurate independent-particle descriptions for ferromagnetic two-dimensional van der Waals materials, we apply the quasiparticle self-consistent $GW$ (QSGW) method to VI$_3$, CrI$_3$, CrGeTe$_3$, and Fe$_3$GeTe$_2$. QSGW provides…
Photo-emission spectroscopy directly probes individual electronic states, ranging from single excitations to high-energy satellites, which simultaneously represent multiple quasiparticles (QPs) and encode information about electronic…
Here we present the details of a self-consistent procedure of the photoemission data analysis within the self-energy approach introduced in Ref.1 (cond-mat/0405696). We derive the relations of the quasiparticle self-energy with the…
Dynamical quasiparticle properties are determined from lattice QCD along the line of the Peshier model for the running strong coupling constant in case of three light flavors. By separating time-like and space-like quantities in the number…
The realization of quantum advantage with noisy-intermediate-scale quantum (NISQ) machines has become one of the major challenges in computational sciences. Maintaining coherence of a physical system with more than ten qubits is a critical…
Half-metallic Heusler compounds are of significant interest for spintronics. For device fabrication, compounds that can be epitaxially grown on III-V semiconductors are particularly attractive. We present a first-principles investigation of…
We investigate the extended quasi-particle states in the mixed state of d-wave superconductors on the basis of the Bogoliubov-de Gennes equation. We prove that the quasi-particle eigen-states can be classified in terms of new topological…
Quantum mechanics has introduced a new theoretical framework for the study of molecules, enabling the prediction of properties and dynamics through the solution of the Schr\"odinger equation applied to these systems. However, solving this…
An approach is developed for constructing simple analytical formulae accurately approximating solutions to eigenvalue problems of quantum mechanics. This approach is based on self-similar approximation theory. In order to derive…
The variational quantum eigensolver (VQE) is one of the most promising algorithms to find eigenvalues and eigenvectors of a given Hamiltonian on noisy intermediate-scale quantum (NISQ) devices. A particular application is to obtain ground…