Related papers: Benchmarking Proton Tunneling Splittings with a Wa…
Hydrogen bonds play a pivotal role in chemistry, biology, and condensed-matter physics, where quantum tunnelling can strongly influence structure and dynamics. Isotope substitution (H $\rightarrow$ D) provides a sensitive probe of such…
Novel experimental and computational studies have uncovered the proton momentum distribution in hydrogen bonded systems. In this work, we utilize recently developed open path integral Car-Parrinello molecular dynamics methodology in order…
This work combines state-of-the-art machine learning techniques with highest-level electronic structure calculations and full-dimensional quantum tunneling calculations to obtain a quantitative characterization of tunneling splittings for…
The quantum mechanical tunneling through multiple quantum barriers is a long-standing and well-known problem. Three methods proposed earlier to calculate the tunneling probabilities and energy splitting: (1). Instanton Method (2) WKb…
Quantum tunneling is a valuable resource exploited by quantum annealers to solve complex optimization problems. Tunneling events also occur during projective quantum Monte Carlo (PQMC) simulations, and in a class of problems characterized…
We present a model of proton tunnelling across DNA hydrogen bonds, compute the characteristic tunnelling time (CTT) from donor to acceptor and discuss its biological implications. The model is a double oscillator characterised by three…
We study the intra-planar tunneling between quantum Hall samples separated by a quasi one-dimensional barrier, induced through the interaction of edge degrees of freedom with the charge density waves of a Hall crystal defined in a parallel…
$\delta$-AlOOH is of significant crystallochemical interest due to a subtle structural transition near 10 GPa from a $P2_1nm$ to a $Pnnm$ structure, the nature and origin of hydrogen disorder, the symmetrization of the O-H$\cdots$O hydrogen…
We investigate quantum tunneling in smooth symmetric and asymmetric double-well potentials. Exact solutions for the ground and first excited states are used to study the dynamics. We introduce Wigner's quasi-probability distribution…
In this paper we introduce and study the correlation functions of a chiral one-dimensional electron model intended to qualitatively represent narrow Hall bars separated into left and right sections by a penetrable barrier. The model has two…
The double-well potential is a good example, where we can compute the splitting in the bound state energy of the system due to the tunneling effect with various methods, namely WKB or instanton calculations. All these methods are…
We present the mathematical model and numerical calculation results for the tunneling of the wave function in a time-periodic double-well potential. The bi-quadratic potential of a double-well form is used. Based on a mathematical model of…
The tunneling effect is the most popular phenomenon of quantum physics and is present in modern physical theories. Still, the most important features of this effect are already present in toy models - low dimensional quantum mechanics with…
The role of proton tunneling in biological catalysis is investigated here within the frameworks of quantum information theory and thermodynamics. We consider the quantum correlations generated through two hydrogen bonds between a substrate…
We present an approach for evaluating Wannier functions, offering an alternative perspective on their role in many-body systems. Unlike traditional methods, such as the maximally localized Wannier functions approach, which focuses on…
Peierls-type instabilities in quarter-filled ($\bar{n}=1/2$) and half-filled ($\bar{n}=1$) quantum double-well hydrogen-bonded chain are investigated analytically in the framework of two-stage orientational-tunnelling model with additional…
We report an improved method for the calculation of tunneling splittings between degenerate configurations in molecules and clusters using path-integral molecular dynamics (PIMD). Starting from an expression involving a ratio of…
This paper revisited quantum tunneling dynamics through a square double-barrier potential. We emphasized the similarity of tunneling dynamics through double-barrier and that of optical Fabry--P$\acute{e}$rot (FP) interferometer. Based on…
The fusion of two interacting heavy ions traditionally has been interpreted in terms of the penetration of the projectile into the target. Observed rates well below the Coulomb barrier are considerably lower than estimates obtained from…
For a model 1d asymmetric double-well potential we calculated so-called survival probability (i.e. the probability for a particle initially localised in one well to remain there). We use a semiclassical (WKB) solution of Schroedinger…