Related papers: Multichannel Quantum Defect Theory for cold molecu…
Separable nucleon-nucleon potentials are calculated using inverse scattering techniques as presented in previously published work. The dependence of the potentials on the momentum cut-off of the scattering phase-shifts is studied. Some…
Density Functional Theory (DFT) accurately predicts the quantum chemical properties of molecules, but scales as $O(N_{\text{electrons}}^3)$. Sch\"utt et al. (2019) successfully approximate DFT 1000x faster with Neural Networks (NN).…
The problem of describing low-energy two-body scattering for systems with two open channels with different thresholds is addressed in the context of an effective field theory. In particular, the problem where the threshold is unnaturally…
With the aim of studying nonperturbative out-of-equilibrium dynamics of high-energy particle collisions on quantum simulators, we investigate the scattering dynamics of lattice quantum electrodynamics in 1+1 dimensions. Working in the…
Accurately treating strong electron correlation in quantum chemistry typically requires multireference wave-function methods with steep computational scaling. The recently proposed i-DMFT method promises near configuration-interaction…
A multi-channel scattering problem is studied from a point of view of integral equations system. The system appears while natural one-particle wave function equation of the electron under action of a potential with non-intersecting ranges…
We consider losses in collisions of ultracold molecules described by a simple statistical short-range model that explicitly accounts for the limited lifetime of classically chaotic collision complexes. This confirms that thermally sampling…
We present a novel data-driven trap theory (abbreviated as DDTT) for nuclear scattering, which aims to overcome the limitations of the traditional trap method in dealing with narrow potential wells, while also providing a more efficient…
A unified description of full reaction channels in low-energy heavy-ion collisions is a great challenge. Although the theoretical models based on the dinuclear system (DNS) concept have been successfully employed in multinucleon transfer…
Density matrix embedding theory (DMET) provides a theoretical framework to treat finite fragments in the presence of a surrounding molecular or bulk environment, even when there is significant correlation or entanglement between the two. In…
In the development of equations of state for polyatomic molecules, thermodynamic perturbation theory (TPT) is widely used to calculate the change in free energy due to chain formation. TPT is a simplification of a more general and exact…
Quantum Key Distribution (QKD) can provide information-theoretically secure communications and is a strong candidate for the next generation of cryptography. However, in practice, the performance of QKD is limited by "practical…
Modeling the energy and forces of atomic systems is a fundamental problem in computational chemistry with the potential to help address many of the world's most pressing problems, including those related to energy scarcity and climate…
Contact has been well established as an important quantity to govern dilute quantum systems, in which the pairwise correlation at short distance traces a broad range of thermodynamic properties. So far, studies have been focusing on contact…
The emergence of complex macroscopic phenomena from a small set of parameters and microscopic concepts demonstrates the power and beauty of physical theories. A theory which relates the wealth of data and peculiarities found in nuclei to…
We derive a density matrix (DM) theory for quantum cascade lasers (QCLs) that describes the influence of scattering on coherences through a generalized scattering superoperator. The theory enables quantitative modeling of QCLs, including…
A refined equation for channe;ing particle diffusion in transverse energy taking into consideration large-angle scattering by nuclei is suggested. This equation is reduced to the Sturm-Liouville problem allowing one to reveal both the…
Distributed quantum computation is often proposed to increase the scalability of quantum hardware, as it reduces cooperative noise and requisite connectivity by sharing quantum information between distant quantum devices. However, such…
MOLSCAT is a general-purpose program for quantum-mechanical calculations on nonreactive atom-atom, atom-molecule and molecule-molecule collisions. It constructs the coupled-channel equations of atomic and molecular scattering theory, and…
Many chemical systems cannot be described by quantum chemistry methods based on a singlereference wave function. Accurate predictions of energetic and spectroscopic properties require a delicate balance between describing the most important…