Related papers: Second order kinetic Kohn-Sham lattice model
We present a method for calculation of the second-order exchange-dispersion energy in the framework of the symmetry-adapted perturbation theory (SAPT) for weakly interacting monomers described with multiconfigurational wave functions. The…
Using a simplified one-dimensional model of a diatomic molecule, the associated interacting density and corresponding Kohn-Sham potential have been obtained analytically for all fractional molecule occupancies $N$ between 0 and 2. For the…
We present the exact solution to a one-dimensional multicomponent quantum lattice model interacting by an exchange operator which falls off as the inverse-sinh-square of the distance. This interaction contains a variable range as a…
The hyperbolic tangent function is usually used as a reliable approximation of the equilibrium density distributions of a system with phase transitions. However, analyzing the accuracies of the numerical derivatives, we find that its…
We study nucleon-nucleon scattering on the lattice at next-to-leading order in chiral effective field theory. We determine phase shifts and mixing angles from the properties of two-nucleon standing waves induced by a hard spherical wall in…
In this article, we consider the extended Kohn-Sham model for atoms subjected to cylindrically-symmetric external potentials. The variational approximation of the model and the construction of appropriate discretization spaces are detailed…
I review recent work and some new results, performed in collaboration with G. Sierra, on the Real-Space Renormalization group method applied to quantum spin lattice systems mainly in spatial dimensions one and two, and to spin ladders which…
It is shown analytically that the energy-conserving implicit nonsymplectic scheme of Bacchini, Ripperda, Chen and Sironi provides a first-order accuracy to numerical solutions of a six-dimensional conservative Hamiltonian system. Because of…
A new ``Dynamical Mean-field theory'' based approach for the Kondo lattice model with quantum spins is introduced. The inspection of exactly solvable limiting cases and several known approximation methods, namely the second-order…
It is shown, that fitting parameters of a $\bar{K}N$ interaction model to different sets of experimental data can lead to physical conclusions which might provide a deeper insight into the physics of this multichannel system. The available…
In this paper, we study finite dimensional approximations of Kohn-Sham models, which are widely used in electronic structure calculations. We prove the convergence of the finite dimensional approximations and derive the a priori error…
Current spectral simulations of Einstein's equations require writing the equations in first-order form, potentially introducing instabilities and inefficiencies. We present a new penalty method for pseudo-spectral evolutions of second order…
In this paper, we present a new class of conservative semi-Lagrangian schemes for kinetic equations. They are based on the conservative reconstruction technique introduced in [S. Y. Cho, et al., Conservative semi-Lagrangian schemes for…
The first order gradient correction to the Thomas-Fermi functional, proposed by Haq, Chattaraj and Deb (Chem. Phys. Lett. vol. 81, 8031, 1984) has been studied by evaluating both the total kinetic energy and the local kinetic energy…
We present an efficient method for extracting energy levels from lattice QCD correlation functions by computing the eigenvalues of the transfer matrix associated with the lattice QCD Hamiltonian. While mathematically and numerically…
We present results for a lattice model of bio-polymers where the type of $\beta$-sheet formation can be controlled by different types of hydrogen bonds depending on the relative orientation of close segments of the polymer. Tuning these…
An integrable Anderson-like impurity model in a correlated host is derived from a gl(2$|$1)-symmetric transfer matrix by means of the Quantum-Inverse-Scattering-Method (QISM). Using the Quantum Transfer Matrix technique, free energy…
In this contribution we extend the Taylor expansion method proposed previously by one of us and establish equivalent partial differential equations of DDH lattice Boltzmann scheme at an arbitrary order of accuracy. We derive formally the…
The pseudo-potential lattice Boltzmann (LB) model is a widely used multiphase model in the LB community. In this model, an interaction force, which is usually implemented via a forcing scheme, is employed to mimic the molecular interactions…
We present an new approach for the ferromagnetic, three-dimensional, translational-symmetric Kondo lattice model which allows us to derive both magnon energies and linewidths (lifetimes) and to study the properties of the ferromagnetic…