Related papers: A comparative analysis of binding in ultralong-ran…
We show that a theoretical description of radial Rydberg wave packets in alkali-metal atoms based solely on hydrogenic wave functions and energies is insufficient to explain data that could be obtained in pump-probe experiments with current…
A detailed theoretical framework for highly excited Rydberg molecules is developed based on the generalized local frame transformation. Our approach avoids the use of pseudopotentials and yields analytical expressions for the body-frame…
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…
Vibrational properties of ultralong Rydberg Cs$_2$ molecules are investigated on corresponding potential curves obtained by perturbation theory. The Rydberg Cs$_2$ molecules are associated by a Rydberg Cs($nS/nP$) atom $(n=30-70)$ and a…
The effective interaction of downfolded low-energy models for electrons in solids can be obtained by integrating out the high energy bands away from the target band near the Fermi level. Here, we apply the constrained random-phase…
Rydberg molecule, formed by one or more Rydberg atoms, exhibits remarkable properties, including an exceptionally large spatial extent, rich rovibrational level structures, permanent electric dipole moments, and a pronounced sensitivity to…
In ab initio pseudopotential calculations within density-functional theory the nonlinear exchange-correlation interaction between valence and core electrons is often treated linearly through the pseudopotential. We discuss the accuracy and…
Within the finite-field Kohn-Sham framework, static electric response properties of diatomic molecules are presented. The electronic energy, dipole moment ({\boldmath$\mu$}), static dipole polarizability ({\boldmath$\alpha$}) and…
Pseudopotential theory has greatly driven first-principles calculations in materials, replacing the explicit treatment of the chemically inert core electrons with an effective potential acting only on the valence states. This is inherently…
A system of two-species, one-dimensional fermions, with an attractive two-body interaction of the derivative-delta type, features a scale anomaly. In contrast to the well-known two-dimensional case with contact interactions, and its…
It is shown that it is possible to quantitatively explain quantum Monte Carlo results for the Green's function of the two-dimensional Hubbard model in the weak to intermediate coupling regime. The analytic approach includes vertex…
We present an overview of our recent investigations of long-range interactions in an ultracold Cs Rydberg gas. These interactions are studied by high-resolution photoassociation spectroscopy, using excitation close to one-photon transitions…
We investigate the structure and features of an ultralong-range triatomic Rydberg molecule formed by a Rb Rydberg atom and a KRb diatomic molecule. In our numerical description, we perform a realistic treatment of the internal rotational…
A quantitative and predictive theory of quantum light-matter interactions in ultra thin materials involves several fundamental challenges. Any realistic model must simultaneously account for the ultra-confined plasmonic modes and their…
Strongly correlated electrons systems may exhibit a variety of interesting phenomena, for instance, superconductivity and pseudogap, as is the case of cuprates and pnictides. In strongly correlated electron systems, it is considered…
The phenomenological Green's function developed in the works of Yang, Rice and Zhang has been very successful in understanding many of the anomalous superconducting properties of the deeply underdoped cuprates. It is based on considerations…
Certain excitations, especially ones of long-range charge transfer character, are poorly described by time-dependent density functional theory (TDDFT) when typical (semi-)local functionals are used. A proper description of these excitations…
We analyze a number of ``nearly exactly'' solvable models of electronic spectrum of two-dimensional systems with well-developed fluctuations of short range order of ``dielectric'' (e.g. antiferromagnetic) or ``superconducting'' type, which…
The journey of theoretical study on semiconductors is reviewed in a non-conventional way. We have started with the basic introduction of Hartree-Fock method and introduce the fundamentals of Density Functional Theory (DFT). From the oldest…
In the realm of quantum chemistry, the accurate prediction of electronic structure and properties of nanostructures remains a formidable challenge. Density Functional Theory (DFT) and Density Matrix Renormalization Group (DMRG) have emerged…