Related papers: Quantum Defect Theory for Cold Chemistry with Prod…
The K + KRb $\longrightarrow$ Rb + K$_{2}$ chemical reaction is the first ultracold atom-diatom chemical reaction for which experimental results have been reported for temperatures below 1 $\mu$K more than a decade ago. The reaction occurs…
We present clear numerical evidence for the coexistence of metallic and insulating dynamical mean field theory(DMFT) solutions in a half-filled single-band Hubbard model with bare semicircular density of states at finite temperatures.…
We discuss the status of thermal model descriptions of particle ratios in central nucleus-nucleus collisions at ultra-relativistic energy. An alternative to the ``Cleymans-Redlich'' interpretation of the freeze-out trajectory is given in…
An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The…
We investigate collisions of polar molecules in quasi-2D traps in the presence of an external electric field perpendicular to the collision plane. We use the quantum-defect model characterized by two dimensionless parameters: $y$ and $s$.…
Entanglement is a crucial resource for achieving quantum advantages in quantum computation, quantum sensing, and quantum communication. As shown in this Letter, entanglement is also a valuable resource for the coherent control of the large…
Interactions between cold ions and atoms have been proposed for use in implementing quantum gates\cite{Idziaszek2007}, probing quantum gases\cite{Sherkunov2009}, observing novel charge-transport dynamics\cite{Cote2000}, and sympathetically…
We present in this work a generalization of the solution of Gorenstein and Yang to the inconsistency problem of thermodynamics for systems of quasi-particles whose masses depend on both the temperature and the chemical potential. We work…
A simple quantum defect model gives analytic expressions for the complex scattering length and threshold collision rates of ultracold molecules. If the probability of reaction in the short-range part of the collision is high, the model…
The study and prediction of chemical reactivity is one of the most important application areas of molecular quantum chemistry. Large-scale, fully error-tolerant quantum computers could provide exact or near-exact solutions to the underlying…
We formulate an energy-based atomistic-to-continuum coupling method based on blending the quasicontinuum method for the simulation of crystal defects. We utilize theoretical results from Ortner and Van Koten (manuscript) to derive optimal…
We use quantum and classical adiabatic capture theories to study the chemical reaction Li + CaH -> LiH + Ca. Using a recently developed ab initio potential energy surface, which provides an accurate representation of long-range interactions…
A quantitative description of the excited electronic states of point defects and impurities is crucial for understanding materials properties, and possible applications of defects in quantum technologies. This is a considerable challenge…
Warm dense matter (WDM) -- an exotic state of highly compressed matter -- has attracted high interest in recent years in astrophysics and for dense laboratory systems. At the same time, this state is extremely difficult to treat…
Chemical reactions represent a class of quantum problems that challenge both the current theoretical understanding and computational capabilities. Reactions that occur at ultralow temperatures provide an ideal testing ground for quantum…
Hybrid functionals' non-local exchange-correlation potential contains a derivative discontinuity that improves on standard semi-local density functional theory (DFT) band gaps. Moreover, by careful parameterization, hybrid functionals can…
The methods of quantum chemistry and solid state theory to solve the many-body problem are reviewed. We start with the definitions of reduced density matrices, their properties (contraction sum rules, spectral resolutions, cumulant…
The critical value of the atom-field coupling strength for a finite number of atoms is deter- mined by means of both, semiclassical and exact solutions. In the semiclassical approach we use a variational procedure with coherent and…
Quantum correlations can be used as a resource for quantum computing, eg for quantum state manipulation, and for quantum sensing, eg for creating non-classical states which allow to achieve the quantum advantage regime. This review collects…
Ultracold molecules offer remarkable opportunities to study chemical reactions at nearly zero temperature. Although significant progresses have been achieved in exploring ultracold bimolecular reactions, the investigations are usually…