Related papers: Development of ab initio Hubbard parameter calcula…
We study the temperature dependence of the single particle spectral function as well as of the dynamical spin and charge structure factors for the one-dimensional Hubbard model using the finite temperature auxiliary field quantum Monte…
We develop the variational-cluster-approximation method based on the thermal-pure-quantum-state approach and apply the method to the calculations of the thermodynamic properties of the Hubbard model, thereby obtaining the temperature…
The fabrication, utilisation, and efficiency of quantum technologies rely on a good understanding of quantum thermodynamic properties. Many-body systems are often used as hardware for these quantum devices, but interactions between…
The method used earlier for analysis of correlated nanoscopic systems is extended to infinite (periodic) s-band like systems described by the Hubbard model and its extensions. The optimized single-particle wave functions contained in the…
The slow-roll inflation paradigm can be systematically generalized within the framework of non-standard entropy formalisms, giving rise to a broad class of inflationary models that deviate from the conventional Bekenstein--Hawking case. We…
We present a detailed study of the derivation of the Hubbard model parameters for $\kappa$-(ET)$_2$Cu$_2$(CN)$_3$ in the framework of {\it ab initio} Density Functional Theory. We show that calculations with different (i) wavefunction…
Computing the dispersion relation for two-dimensional photonic crystals is a notoriously challenging task: It involves solving parameterized Helmholtz eigenvalue problems with high-contrast coefficients. To resolve the challenge, we propose…
We study the reliability of the constrained random phase approximation (cRPA) method for the calculation of low-energy effective Hamiltonians by considering multi-orbital lattice models with one strongly correlated "target" band and two…
The density linear response function for an inhomogeneous system of electrons in equilibrium with an array of fixed ions is considered. Two routes to its evaluation for extreme conditions (e.g., warm dense matter) are considered. The first…
This paper introduces a novel ansatz-based technique for solution of the Hubbard model over two length scales. Short range correlations are treated exactly using a dynamical cluster approximation QMC simulation, while longer-length-scale…
We propose a framework to learn the time-dependent Hartree-Fock (TDHF) inter-electronic potential of a molecule from its electron density dynamics. Though the entire TDHF Hamiltonian, including the inter-electronic potential, can be…
A numerical model based on hydrodynamic approach has been developed to emulate the device dynamics of active target Time Projection Chamber which is utilized for studying nuclear reaction through three dimensional tracking of concerned low…
Real-time time-dependent density functional theory (RT-TDDFT) is a powerful approach for investigating various ultrafast phenomena in materials. However, most existing RT-TDDFT studies rely on adiabatic local or semi-local approximations,…
The generator coordinate (GC) method is a variational approach to the quantum many-body problem in which interacting many-body wave functions are constructed as superpositions of (generally nonorthogonal) eigenstates of auxiliary…
Analysing stationary point databases to extract phenomenological rate constants can become time-consuming for systems with large potential energy barriers. In the present contribution we analyse several different approaches to this problem.…
Recent ARPES experiments on doped 1D cuprates revealed the importance of effective near-neighbor (NN) attractions in explaining certain features in spectral functions. Here we investigate spectral properties of the extended Hubbard model…
We consider the Heston model as an example of a parameterized parabolic partial differential equation. A space-time variational formulation is derived that allows for parameters in the coefficients (for calibration) as well as choosing the…
This paper addresses the regulation and trajectory-tracking problems for two classes of weakly coupled electromechanical systems. To this end, we formulate an energy-based model for these systems within the port-Hamiltonian framework. Then,…
We present a systematic study of various forms of renormalization that can be applied in the calculation of the self-energy of the Hubbard model within the T-matrix approximation. We compare the exact solutions of the attractive and…
Two new methods are presented for estimating car-following model parameters using data collected from the Adaptive Cruise Control (ACC) enabled vehicles. The vehicle is assumed to follow a constant time headway relative velocity model in…