Related papers: Multichannel quantum-defect theory for anisotropic…
Classical molecular dynamics (MD) is a well established and powerful tool in various fields of science, e.g. chemistry, plasma physics, cluster physics and condensed matter physics. Objects of investigation are few-body systems and…
We present analytic descriptions of atomic interaction at ultracold temperatures using both single-channel and multichannel quantum-defect theories. In the case of a single channel, addressed in this paper, the expansion of [B. Gao, Phys.…
The dynamical mean-field theory (DMFT) is a widely applicable approximation scheme for the investigation of correlated quantum many-particle systems on a lattice, e.g., electrons in solids and cold atoms in optical lattices. In particular,…
Quantum stochastic differential equations have been used to describe the dynamics of an atom interacting with the electromagnetic field via absorption/emission processes. Here, by using the full quantum stochastic Schroedinger equation…
We put forward a possible new interpretation and explanatory framework for quantum theory. The basic hypothesis underlying this new framework is that quantum particles are conceptual entities. More concretely, we propose that quantum…
We present a multi-timescale Quantum Averaging Theory (QAT), a unitarity-preserving generalized Floquet framework for analytically modeling periodically and almost-periodically driven quantum systems across multiple timescales. By…
We study photon-mediated interactions between molecular spin qudits in the dispersive regime of operation. We derive from a microscopic model the effective interaction between molecular spins, including their crystal field anisotropy (i.e.,…
A new formulation of potential scattering in quantum mechanics is developed using a close structural analogy between partial waves and the classical dynamics of many non-interacting fields. Using a canonical formalism we find non-linear…
Here the ionization and high harmonic generation in Hydrogen and Helium by using quantum (hydrodynamic) trajectories is analyzed theoretically. The quantum trajectories allow a self-contained treatment of the electron exchange and…
Alchemical transformations showed that perturbation theory can be applied also to changes in the atomic nuclear charges of a molecule. The alchemical path that connects two different chemical species involves the conceptualization of a…
Fission resulting from collision of atomic nuclei is systematically investigated based on time-dependent density functional calculations. Time-dependent density functional theory (TDDFT) is a framework, which enables us to treat quantum…
Quantum theory is proposed of high energy electrons scattering in ultrathin crystals. This theory is based upon a special representation of the scattering amplitude in the form of the integral over the surface surrounding the crystal, and…
Quantum-mechanical methods are widely used for understanding molecular interactions throughout biology, chemistry, and materials science. Quantum diffusion Monte Carlo (DMC) and coupled cluster with single, double, and perturbative triple…
The concept of multiple particle interference is discussed, using insights provided by the classical theory of error correcting codes. This leads to a discussion of error correction in a quantum communication channel or a quantum computer.…
Density functional theory offers a very accurate way of computing materials properties from first principles. However, it is too expensive for modelling large-scale molecular systems whose properties are, in contrast, computed using…
While machine learning (ML) models have been able to achieve unprecedented accuracies across various prediction tasks in quantum chemistry, it is now apparent that accuracy on a test set alone is not a guarantee for robust chemical modeling…
The present paper generalizes preceding papers of the author and opens a cycle of works concerning the general posing and solution in analytic form of the quantum-mechanical inverse scattering problem (for a given partial channel) in a…
Quantum systems characterized by an interplay between several resonance scattering channels demonstrate very rich physics. To illustrate it we consider a multistage Kondo effect in nanodevices as a paradigmatic model for a multimode…
Two types of approaches to modeling molecular systems have demonstrated high practical efficiency. Density functional theory (DFT), the most widely used quantum chemical method, is a physical approach predicting energies and electron…
Inspired by various quantum gravity approaches, we explore quantum field theory where spacetime exhibits scaling properties and dimensional reduction with changing energy scales, effectively behaving as a multifractal manifold. Working…