Related papers: Improving perturbation theory for open-shell molec…
Five-component minimum-energy bound states and mobile vector solitons of a spin-orbit-coupled quasi-one-dimensional hyperfine-spin-2 Bose-Einstein condensate are studied using the numerical solution and variational approximation of a…
An interacting lattice model describing the subspace spanned by a set of strongly-correlated bands is rigorously coupled to density functional theory to enable ab initio calculations of geometric and topological material properties. The…
We propose explicit symplectic integrators of molecular dynamics (MD) algorithms for rigid-body molecules in the canonical and isothermal-isobaric ensembles. We also present a symplectic algorithm in the constant normal pressure and lateral…
We analyse a nonadiabatic self-consistent field method by means of an exactly-solvable model. The method is based on nuclear and electronic orbitals that are functions of the cartesian coordinates in the laboratory-fixed frame. The kinetic…
Perturbation theory is used systematically to investigate the symmetries of the Dirac Hamiltonian and their breaking in atomic nuclei. Using the perturbation corrections to the single-particle energies and wave functions, the link between…
Consider a linear autonomous Hamiltonian system with a time periodic bound state solution. In this paper we study the structural instability of this bound state ^M relative to time almost periodic perturbations which are small, localized…
A formalism is presented that allows an asymptotically exact solution of non-relativistic and semi-relativistic two-body problems with infinitely rising confining potentials. We consider both linear and quadratic confinement. The additional…
Effects of two-body dipolar interactions on the effective permittivity/conductivity of a binary, symmetric, random dielectric composite are investigated in a self-consistent framework. By arbitrarily splitting the singularity of the Green…
We treat the ultraviolet problem for polaron-type models in nonrelativistic quantum field theory. Assuming that the dispersion relations of particles and the field have the same growth at infinity, we cover all subcritical…
We study how well magnetic models can be implemented with ultracold bosonic atoms of two different hyperfine states in an optical superlattice. The system is captured by a two-species Bose-Hubbard model, but realizes in a certain parameter…
The multiconfigurational time-dependent Hartree method (MCTDH) [Chem. Phys. Lett. {\bf 165}, 73 (1990); J. Chem. Phys. {\bf 97}, 3199 (1992)] is celebrating nowadays entering its third decade of tackling numerically-exactly a broad range of…
Moir\'e superlattices host a rich variety of correlated topological states, including interaction-driven integer and fractional Chern insulators. A common approach to study interacting ground states at integer fillings is the Hartree-Fock…
Extending many-body numerical techniques which are powerful in the context of simple model calculations to the realm of realistic material simulations can be a challenging task. Realistic systems often involve multiple active orbitals,…
In two-component BEC, the one-axis twisting Hamiltonian leads to spin squeezing with the limitation that scales with the number of atoms as $N^{-\frac{2}{3}}$. We propose a scheme to transform the one-axis twisting Hamiltonian into a…
We calculate binding energies of four molecular solids using the Hartree-Fock (HF) and second-order M{\o}ller-Plesset perturbation theory (MP2). We obtain the energies within many-body expansion (MBE) as well as using periodic boundary…
In this paper, we propose a suboptimal and reduced-order Model Predictive Control (MPC) architecture for discrete-time feedback-interconnected systems. The numerical MPC solver: (i) acts suboptimally, performing only a finite number of…
We investigate the charge density wave phase in the strongly correlated Hubbard model without any other broken symmetry phase. Starting from the atomic Hamiltonian with no hopping, we generate quasiparticle operators corresponding to holons…
Two-step hybrid methods specially adapted to the numerical integration of perturbed oscillators are obtained. The formulation of the methods is based on a refinement of classical Taylor expansions due to Scheifele [{\em Z. Angew. Math.…
Dynamists have been studying Hamiltonian systems for a long time. However, many physical systems are dissipative and do not preserve a symplectic form. This is the case, for example, with systems involving friction, which multiply the…
Given a quantum many-body system and the expectation-value dynamics of some operator, we study how this reference dynamics is altered due to a perturbation of the system's Hamiltonian. Based on projection operator techniques, we unveil that…