Related papers: Efficient computational methods for rovibrational …
An algorithm and a system of quantum circuits is developed and applied to compute accurately the S matrix for the transitions between vibrational states of H2 for collisions with H. The algorithm was applied to 100 eV laboratory collision…
In nuclear fusion and fission, fluctuation and dissipation arise due to the coupling of collective degrees of freedom with internal excitations. Close to the barrier, both quantum, statistical and non-Markovian effects are expected to be…
Spectroscopic techniques based on core-level excitations provide powerful tools for probing molecular and electronic structures with high spatial resolution. However, accurately calculating spectral features at the L or M edges is…
Neutron correlation spectroscopy can exceed direct spectroscopy in the incoming beam intensity by up to two orders of magnitude at the same energy resolution. However, the propagation of the counting noise in the correlation algorithm of…
Quantum computing methods for excited-state calculations remain underexplored in Noisy Intermediate-Scale Quantum (NISQ) hardware, despite their critical role in photochemistry and material science. Herein, we propose a resource-efficient…
In the present work, we calculate the conductance through a single quantum dot weakly coupled to metallic contacts. We use the spin-1/2 Anderson model to describe the quantum dot, while considering a finite Coulomb repulsion. We solve the…
Many useful properties of dilute Bose gases at ultra-low temperature are predicted precisely by the (mean-field) product-state Ansatz, in which all particles are in the same quantum state. Yet, in situations where particle-particle…
We investigate the effect of the Coriolis coupling and the residual interactions upon the inter-band transition rates for the vibrational bands and the decay of two-quasiparticle high-K isomers.
Nonextensive statistics has attracted attention as a description of particle spectra in nuclear collisions at QCD energies. First, we construct the equation of state by incorporating Tsallis statistics based on the hadron resonance gas and…
Computing accurate rate constants for catalytic events occurring at the surface of a given material represents a challenging task with multiple potential applications in chemistry. To address this question, we propose an approach based on a…
We report internally contracted relativistic multireference configuration interaction (ic-MRCI), complete active space second-order perturbation (CASPT2), and strongly contracted n-electron valence state perturbation theory (NEVPT2) on the…
Precise quantum control and measurement of several harmonic oscillators, such as the modes of the electromagnetic field in a cavity or of mechanical motion, are key for their use as quantum platforms. The motional modes of trapped ions can…
Although relativistic heavy-ion collisions have emerged as a powerful probe for studying nuclear structure, the potential influence of nucleon-nucleon short-range correlations (NN-SRCs) on the initial state has remained an open question. By…
We present a method to estimate the transition rates of molecular systems under different environmental conditions which cause the formation or the breaking of bonds and require the sampling of the Grand Canonical Ensemble. For this…
We study two recently proposed equations of state (EOS) which are obtained from high temperature QCD, and show how they can be adapted to use them for making predictions for relativistic heavy ion collisions. The method involves extracting…
We present novel coupling schemes for partitioned multi-physics simulation that combine four important aspects for strongly coupled problems: implicit coupling per time step, fast and robust acceleration of the corresponding iterative…
The strong sphaleron rate, i.e., the rate of real time QCD topological transitions, is a key phenomenological quantity, playing a fundamental role in several physical contexts. In heavy-ion collisions, a non-vanishing rate can lead to the…
Rovibrational transitions in the hydrogen and antihydrogen molecular ions $H_2^+$ and $\overline{H}_2^-$ offer the possibility of testing Lorentz and CPT symmetry to extremely high precision, in principle attaining $O(10^{-17})$. In this…
Estimating the rate of rare conformational changes in molecular systems is one of the goals of Molecular Dynamics simulations. In the past decades, a lot of progress has been done in data-based approaches towards this problem. In contrast,…
We propose and analyze a new approach for quantum state transfer between remote spin qubits. Specifically, we demonstrate that coherent quantum coupling between remote qubits can be achieved via certain classes of random, unpolarized…