Related papers: Optimized Multichannel Quantum Defect Theory for c…
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 investigate the ultracold collisions of rotationally excited dipolar molecules in free-space, taking the hetero-nuclear bi-alkali molecule of KRb as an example. We show that we can sharply tune the elastic, inelastic and reactive rate…
Constant-potential molecular dynamics (MD) simulations are indispensable for understanding the capacitance, structure, and dynamics of electrical double layers (EDLs) at the atomistic level. However, the classical constant-potential method,…
We report results of fully non-perturbative, Path Integral Monte Carlo (PIMC) calculations for dilute neutron matter. The neutron-neutron interaction in the s channel is parameterized by the scattering length and the effective range. We…
In this paper, using a standard quantum chemistry approach based on pseudopotentials for atomic core representation, Gaussian basis sets, and effective core polarization potentials, we investigate the electronic properties of the MgH$^+$…
Molecular dynamics (MD) simulations of complex electrochemical systems, such as ionic liquid supercapacitors, are increasingly including the constant potential method (CPM) to model conductive electrodes at specified potential difference,…
The iterative qubit coupled cluster (iQCC) method is a systematic variational approach to solve the electronic structure problem on universal quantum computers. It is able to use arbitrarily shallow quantum circuits at expense of iterative…
Atomic nuclei are complex, quantum many-body systems whose structure manifests itself through intrinsic quantum states associated with different excitation modes or degrees of freedom. Collective modes (vibration and/or rotation) dominate…
We propose an experiment with two coupled microwave cavities and a "tunneling" photon observed by the passage of Rydberg atoms. We model the coupled cavities as in Ref. \cite{art1} and include dissipative effects as well as limited…
Within the mode-coupling theory (MCT) of the glass transition, we reconsider the numerical schemes to evaluate the MCT functional. Here we propose nonuniform discretizations of the wave number, in contrast to the standard equidistant grid,…
A molecular dynamics simulation is performed for a supercooled liquid of rigid diatomic molecules. The time-dependent self and collective density correlators of the molecular centers of mass are determined and compared with the predictions…
Quantum states of a few-particle system capacitively coupled to a metal gate can be discriminated by measuring the quantum capacitance, which can be identified with the second derivative of the system energy with respect to the gate…
Quantum bits have technological imperfections. Additionally, the capacity of a component that can be implemented feasibly is limited. Therefore, distributed quantum computation is required to scale up quantum computers. This dissertation…
Establishing the hybrid entanglement among a growing number of matter and photonic quantum bits is necessary for the scalable quantum computation and long distance quantum communication. Here we demonstrate that charged excitonic complexes…
The effect of long distance coherent tunneling (LDCT) on the charge and heat currents in serially coupled triple quantum dots (TQDs) connected to electrodes is illustrated by using a combination of the extended Hurbbard model and Anderson…
We study the nonequilibrium properties of an electronic circuit composed of a double quantum dot (DQD) channel coupled to a quantum point contact (QPC) within the framework of stochastic thermodynamics. We show that the transition rates…
We use thermodynamic perturbation theory to calculate the free energies and resulting phase diagrams of binary systems of spherical colloidal particles and interacting polymer coils in good solvent within an effective one-component…
There are several important solid-state systems, such as defects in solids, superconducting circuits and molecular qubits, for attractive candidates of quantum computations. Molecular qubits, which benefit from the power of chemistry for…
We calculate the interaction potential between N atoms and NH molecules and use it to investigate cold and ultracold collisions important for sympathetic cooling. The ratio of elastic to inelastic cross sections is large over a wide range…
Recent discrepancies between theoretical predictions and experimental data in multi-lepton plus $b$-jets analyses for the $t\bar{t}W^\pm$ process, as reported by the ATLAS collaboration, have indicated that more accurate theoretical…