Related papers: Effect of quantum nuclear motion on hydrogen bondi…
We present an extension of the Hamiltonian of the two dimensional limit of the vibron model encompassing all possible interactions up to four-body operators. We apply this Hamiltonian to the modeling of the experimental bending spectrum of…
We present a probabilistic approach to water-water hydrogen bonding that allows one to obtain an analytic expression for the number of bonds per water molecule as a function of both its distance to a hydrophobic particle and hydrophobe…
We show that the quasi-adiabatic evolution of a system governed by the Dicke Hamiltonian can be described in terms of a self-induced quantum many-body metrological protocol. This effect relies on the sensitivity of the ground state to a…
We investigate black-body induced energy shifts for low-lying levels of atomic systems, with a special emphasis on transitions used in current and planned high-precision experiments on atomic hydrogen and ionized helium. Fine-structure and…
Quantum manipulation of individual phonons could offer new resources for studying fundamental physics and creating an innovative platform in quantum information science. Here, we propose to generate quantum states of strongly correlated…
We study the dynamics of tilted one-dimensional Bose-Hubbard model for two distinct protocols using numerical diagonalization for finite sized system ($N\le 18$). The first protocol involves periodic variation of the effective electric…
The coupled quantum dynamics of electrons and protons is ubiquitous in many dynamical processes involving light-matter interaction, such as solar energy conversion in chemical systems and photosynthesis. A first-principles description of…
We analyze the time evolution of quantum entanglement in a model consisting of two two-level atoms interacting with a two-mode electromagnetic field for a variety of initial states and interatomic separations. We study two specific atomic…
Comparative molecular dynamics simulations of a hexamer cluster of the protic ionic liquid ethylammonium nitrate are performed using density functional theory (DFT) and density functional-based tight binding (DFTB) methods. The focus is on…
A nonadiabatic scheme for the description of the coupled electron and nuclear motions in the ozone molecule was proposed recently. An initial coherent nonstationary state was prepared as a superposition of the ground state and the excited…
Hanbury Brown-Twiss (HBT) results of the neutron-proton correlation function have been systematically investigated for a series nuclear reactions with light projectiles with help of Isospin-Dependent Quantum Molecular Dynamics model. The…
Calculating the observable properties of chemical systems is often classically intractable and is widely viewed as a promising application of quantum information processing. Yet one of the most common and important chemical systems in…
Sensitivity of two-proton emitting decay to nuclear pairing correlation is discussed within a time-dependent three-body model. We focus on the $^6$Be nucleus assuming $\alpha + p + p$ configuration, and its decay process is described as a…
The charge and proton dynamics in hydrogen-bonded networks are investigated using ammonia as a model system. The fragmentation dynamics of medium-sized clusters (1-2 nm) upon single photon multi-ionization is studied, by analyzing the…
Transition metal complexes for photochemical applications often feature a high density of electron-vibrational states characterized by nonadiabatic and spin-orbit couplings. Overall, the dynamics after photoexcitation is shaped by rapid…
We propose a dynamical model depicting the interactions between DNA and a specific binding protein involving long range transmissions. The dynamics rely on the coupling between Hydrogen bonds formed between DNA and protein and between the…
We examine the procedure to construct the variables of use for the momentum representation in quantum mechanics. The momentum variables must be chosen properly conjugate to the corresponding position space variables, such that valid…
The Bohr Hamiltonian describing the collective motion of atomic nuclei is modified by allowing the mass to depend on the nuclear deformation. Exact analytical expressions are derived for spectra and wave functions in the case of a…
Studies of quantum thermal effects on molecular excitation dynamics have often relied on oversimplified models, such as energy eigenstates or low-dimensional potentials, which fail to capture the complexity of real chemical systems. In…
The effect of heterogeneous sequence composition on the denaturation of double stranded DNA is investigated. The resulting pair-binding energy variation is found to have a negligible effect on the critical properties of the smooth second…