Related papers: Transition from molecular complex to quantum solva…
Purely rotational transitions of a molecule, such as HCCCN, embedded in large $^4$He clusters have been detected for the first time. The saturation behavior shows that, in contrast to previous expectations, the microwave line profiles are…
We present the implementation of relativistic coupled cluster quadratic response theory (QR-CC), following our development of relativistic equation of motion coupled cluster quadratic response theory (QR-EOMCC) [X. Yuan et al., J. Chem.…
We reduce the problem of integer quantum Hall transition to a random rotation of an N-dimensional vector by an su(N) algebra, where only N specially selected generators of the algebra are nonzero. The group-theoretical structure revealed in…
Similarity transformed equation-of-motion coupled cluster theory (STEOM-CC) is an alternative approach to equation-of-motion coupled cluster theory for excited states (EOMEE-CC) which uses a second similarity transformation of the…
A first-order liquid-liquid phase transition in high-pressure hydrogen between molecular and atomic fluid phases has been predicted in computer simulations using ab initio molecular dynamics approaches. However, experiments indicate that…
We have performed quantum molecular dynamics simulations for dense helium to study the nonmetal-to-metal transition at high pressures. We present new results for the equation of state and the Hugoniot curve in the warm dense matter region.…
We present extensive molecular dynamics simulations of the motion of a single linear rigid molecule in a two-dimensional random array of fixed obstacles. The diffusion constant for the center of mass translation, $D_{\rm CM}$, and for…
We explore the quantum dynamics of nuclear spin relaxation in cold collisions of $^1\Sigma^+$ molecules with structureless atoms in an external magnetic field. To this end, we develop a rigorous coupled-channel methodology, which accounts…
We study the quantum Hall transition using the density-density correlation function. We show that in the limit h->0 the electron density moves along the percolating trajectories, undergoing normal diffusion. The localization exponent…
The standard and renormalized coupled cluster methods with singles, doubles, and noniterative triples and their generalizations to excited states, based on the equation of motion coupled cluster approach, are applied to the He-4 and O-16…
Whereas atom-molecule collisions have been studied with complete quantum state resolution, interactions between two state-selected molecules have proven much harder to probe. Here, we report the measurement of state-resolved inelastic…
We investigate the rotational properties of a two-component, two-dimensional self-bound quantum droplet, which is confined in a harmonic potential and compare them with the well-known problem of a single-component atomic gas with contact…
The isothermal compression of a dilute nucleonic gas invoking cluster degrees of freedom is studied in an equilibrium statistical model; this clusterized system is found to be more stable than the pure nucleonic system. The equation of…
The element Ce exhibits an isostructural $\gamma-\alpha$ phase transition with a 15\% volume change at room temperature. The phase boundary ends in a critical point at 1.5 GPa and 480 K. We describe a model for the equation of state of Ce…
Recent studies to solve nuclear structure problems using quantum computers rely on a quantum algorithm known as Variational Quantum Eigensolver (VQE). In this study, we calculate the correlation energy in Helium-6 using VQE, with a…
We propose a novel computational strategy to study the glass transition of molecular fluids. Our approach combines the construction of simple yet realistic models with the development of Monte Carlo algorithms to accelerate equilibration…
Semiclassical oscillation of the electron through the nucleus of the H atom yields both the exact energy and the correct orbital angular momentum for l=0 quantum states. Similarly, electron oscillation through the nuclei of H2+ accounts for…
Precise solutions of the Hartree-Fock equations for the ground state of the hydrogen molecule are obtained for a wide range of internuclear distances R by means of a two-dimensional fully numerical mesh computational method. The spatial…
As an application of the classically decayable correlation in a quantum chaos system maintained over an extremely long time-scale (Matsui et al, Europhys.Lett. 113(2016),40008), we propose a minimal model of quantum damper composed of a…
Quantum variational algorithms (QVAs) are increasingly potent tools for simulating quantum many-body systems on noisy intermediate-scale quantum (NISQ) devices. This work examines the application of the Variational Quantum Eigensolver (VQE)…