Related papers: Vibrational Excitations in Weakly Coupled Single-M…
In the construction of diabatic vibronic Hamiltonians for quantum dynamics in the excited-state manifold of molecules, the coupling constants are often extracted solely from information on the excited-state energies. Here, a new protocol is…
This study seeks to understand conditions under which virtual gratings produced via vibrotaction and friction modulation are perceived as similar and to find physical origins in the results. To accomplish this, we developed two single-axis…
We spectroscopically investigate the hyperfine, rotational and Zeeman structure of the vibrational levels $\text{v}'=0$, $7$, $13$ within the electronically excited $c^3\Sigma_g^+$ state of $^{87}\text{Rb}_2$ for magnetic fields of up to…
The even cadmium isotopes near the neutron midshell have long been considered good examples of vibrational nuclei. However, the vibrational nature of these nuclei has been questioned based on E2 transition rates that are not consistent with…
We present high-accuracy correlated calculations of small Si$_x$H$_y$ molecular systems both in the ground and excited states. We employ quantum Monte Carlo (QMC) together with a variety of many-body wave function approaches based on basis…
A protein undergoes conformational dynamics with multiple time scales, which results in fluctuating enzyme activities. Recent studies in single molecule enzymology have observe this "age-old" dynamic disorder phenomenon directly. However,…
In this work, we report results from our extensive spectroscopic study on AlF and AlCl molecules, keeping in mind potential laboratory as well as astrophysical applications. We carry out detailed electronic structure calculations in both…
The presence of solvent tunes many properties of a molecule, such as its ground and excited state geometry, dipole moment, excitation energy, and absorption spectrum. Because the energy of the system will vary depending on the solvent…
In some applications of quantum control, it is necessary to produce very weak excitation of a quantum system. Such an example is presented by the concept of single-photon generation in cold atomic ensembles or doped solids, e.g. by the DLCZ…
Recent experiments have revealed the profound effect of strong light-matter interactions in optical cavities on the electronic ground state of molecular systems. This phenomenon, known as vibrational strong coupling (VSC), can modify…
A particle-vibration coupling calculation based on the RPA and the cranked shell model has been carried out for superdeformed rotational bands in $^{193}$Hg. The result suggests that properties of single-particle motions in superdeformed…
Here we present a theoretical analysis of inelastic effects on thermoelectric properties of molecular-scale junction in both linear and nonlinear response regimes. Considered device is composed of molecular quantum dot (with discrete energy…
We study ground states and excited states in semiconductor quantum dots containing 1 to 12 electrons. For the first time, it is possible to identify the quantum numbers of the states in the excitation spectra and make a direct comparison to…
We develop a computational method for evaluating the damping of vibrational modes in mono-atomic metallic chains suspended between bulk crystals under external strain. The damping is due to the coupling between the chain and contact modes…
For a small fraction of hot CO2 molecules immersed in a liquid-phase CO2 thermal bath, classical cavity molecular dynamics simulations show that forming collective vibrational strong coupling (VSC) between the C=O asymmetric stretch of CO2…
We demonstrate strong coupling between the flexural vibration modes of a clamped-clamped micromechanical resonator vibrating at low amplitudes. This coupling enables the direct measurement of the frequency response via amplitude- and phase…
Numerous experimental and theoretical studies have established that intramolecular vibrational energy redistribution (IVR) in isolated molecules has a heirarchical tier structure. The tier structure implies strong correlations between the…
Excited states of spin-chains play an important role in condensed matter physics. We present a method of calculating the single magnon excited states of the Heisenberg spin-chain that can be efficiently implemented on a quantum processor…
Electronic-vibrational coupling in single-molecule junctions may result in current-induced bond rupture and is thus an important mechanism for the stability of molecular junctions. We use the hierarchical quantum master equation (HQME)…
We theoretically analyze correlation effects on the transport properties of a benzene molecule that are mediated by interactions between the motion of the nuclei and the transmitted charge. We focus on the lowest-lying molecular vibrational…