Related papers: Multiscale quantum-defect theory and its applicati…

We present a theoretical model of matter-wave diffraction through a material nanostructure. This model is based on the numerical solution of the time-dependent Schr{\"o}dinger equation, which goes beyond the standard semi-classical…

We present an analytic ansatz to find the effective electrostatic potential and Coulomb correlations in multicenter problems, specifically homogeneous and doped clusters of metal atoms. The approach is based on a quasi-classical…

We present a general multi-component density functional theory in which electrons and nuclei are treated completely quantum mechanically, without the use of a Born-Oppenheimer approximation. The two fundamental quantities in terms of which…

The Hohenberg-Kohn (HK) theorem -- the bedrock of density functional theory (DFT) -- establishes a universal map from the external potential to the energy. It also relates the electron density and atomic forces to the variation of the…

This paper studies the spectrum of a multi-dimensional split-step quantum walk with a defect that cannot be analysed in the previous papers. To this end, we have developed a new technique which allow us to use a spectral mapping theorem for…

We develop convergent variational perturbation theory for quantum statistical density matrices. The theory is applicable to polynomial as well as nonpolynomial interactions. Illustrating the power of the theory, we calculate the…

The Python functions distributed with this article can be used for calculating the parameters of multichannel quantum defect theory models describing excited bound states of complex atoms. These parameters are obtained by fitting a model to…

Creating accurate, analytic atom--atom potentials for small organic molecules from first principles can be a time-consuming and computationally intensive task, particularly if we also require them to include explicit polarization terms,…

The Schrodinger equation incorporating the long-range Coulomb potential takes the form of a Fredholm equation whose kernel is singular on its diagonal when represented by a basis bearing a continuum of states, such as in a Fourier-Bessel…

Divalent atoms have emerged as powerful alternatives to alkalis in ultracold atom platforms, offering unique advantages arising from their two-electron structure. Among these species, ytterbium (Yb) is especially promising, yet its anionic…

Classical atomistic simulations based on interatomic potentials resolve lattice instabilities, defect nucleation, and microstructure evolution with high fidelity, but their accessible system sizes remain far below those required for…

For a quantum dot (QD) in the intermediate regime between integrable and fully chaotic, the widths of single-particle levels naturally differ by orders of magnitude. In particular, the width of one strongly coupled level may be larger than…

Atomic nuclei exhibit multiple energy scales ranging from hundreds of MeV in binding energies to fractions of an MeV for low-lying collective excitations. As the limits of nuclear binding is approached near the neutron- and proton…

We present a blueprint for building a fault-tolerant universal quantum computer with Rydberg atoms. Our scheme, which is based on the surface code, uses individually-addressable optically-trapped atoms as qubits and exploits…

Ultra-long-range Rydberg molecules (ULRMs) have attracted significant interest due to their unique electronic properties and potential applications in quantum technologies. We theoretically investigate the formation and characteristics of…

Atomic high-precision measurements have become a competitive and essential technique for tests of fundamental physics, the Standard Model, and our theory of gravity. It is therefore self-evident that such measurements call for a consistent…

We numerically solve the functional differential equations (FDE's) of 2-particle electrodynamics, using the full electrodynamic force obtained from the retarded Lienard-Wiechert potentials and the Lorentz force law. In contrast, the usual…

Recently Drummond and Hillery [Phys. Rev.A 59, 691(1999)] presented a quantum theory of dispersion based on the analysis of a coupled system of the electromagnetic field and atoms in the multipolar QED formulation. The theory has led to the…

The theory relevant to the study of matter in equilibrium with the radiation field is thermal quantum electrodynamics (TQED). We present a formulation of the theory, suitable for non relativistic fluids, based on a joint functional integral…

In 1959 Ya. B. Zel'dovich predicted that the bound-state spectrum of the non-relativistic Coulomb problem distorted at small distances by a short-range potential undergoes a peculiar reconstruction whenever this potential alone supports a…