相关论文: A diabatic state model for double proton transfer …
We study the real-time evolution of a charge-excited state in a one-dimensional $e_{\rm g}$-orbital degenerate Hubbard model, by a time-dependent density-matrix renormalization group method. Considering a chain along the $z$ direction,…
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…
The interactions between acceptors in semiconductors are often treated in qualitatively the same manner as those between donors. Acceptor wave functions are taken to be approximately hydrogenic and the standard hydrogen molecule…
Many schemes to realize quantum state transfer in spin chains are not robust to random fluctuations in the spin-spin coupling strength. In efforts to achieve robust quantum state transfer, an adiabatic quantum population transfer scheme is…
A powerful new impurity solver is shown to permit a systematic study of the doping driven Mott transition in a one-band Hubbard model within the framework of single-site dynamical mean field theory. At small dopings and large interaction…
Motivated by experiments with current biased superconducting atomic point contacts the general problem of nonadiabatic transitions between adiabatic surfaces in presence of strong dissipation is studied. For a single channel device the…
At present, several models for quantum computation have been proposed. Adiabatic quantum computation scheme particularly offers this possibility and is based on a slow enough time evolution of the system, where no transitions take place. In…
Quantum simulation of many-body systems are one of the most interesting tasks of quantum technology. Among them is the preparation of a many-body system in its ground state when the vanishing energy gap makes the cooling mechanisms…
Complementary DNA strands in solution reliably hybridize to form stable duplexes. We study the kinetics of the hybridization process and the mechanisms by which two initially isolated strands come together to form a stable double helix. We…
Using the Multi-Reference Configuration Interaction method, the adiabatic potential energy surfaces of Li3 are computed. The two lowest electronic states are bound and exhibit a conical intersection. By fitting the calculated potential…
We develop a method for executing robust and selective transfer of populations between a single level and pre-selected superpositions of energy eigenstates. Viewed in the frequency domain, our method amounts to executing a series of…
The four-electron oxygen reduction reaction on Pt catalyst in alkaline solution undergoes proton transfer via tunneling mechanism. The hydrogen/deuterium kinetic isotopic rate constant ratio (kH/kD ) = 32 in a low overpotential region,…
We investigate even-even two-proton borromean systems at prominent intermediate heavy waiting points for the rapid proton capture process. The most likely single-particle levels are used to calculate three-body energy and structure as a…
Charge transfer in a DNA duplex chain is studied by constructing a system with virtual electrodes connected at the ends of each DNA strand. The systeym is described by the tight-binding model and its transport is analyzed by the transfer…
Nontrivial spectral properties of non-Hermitian systems can give rise to intriguing effects that lack counterparts in Hermitian systems. For instance, when dynamically varying system parameters along a path enclosing an exceptional point…
In this letter we propose a superadiabatic protocol where quantum state transfer can be achieved with arbitrarily high accuracy and minimal control across long spin chains with an odd number of spins. The quantum state transfer protocol…
It was first noted during the 1970s that finite-range distorted wave Born approximation (FR-DWBA) calculations were unable satisfactorily to describe the shape of the angular distributions of many single-proton (and some single-neutron)…
We present calculations of the free energy, and hence the melting properties, of a simple tight-binding model for transition metals in the region of d-band filling near the middle of a d-series, the parameters of the model being designed to…
We propose two schemes to coherently transfer arbitrary quantum states of the two-electron singlet-triplet qubit across a chain of 3 quantum dots. The schemes are based on electrical control over the detuning energy of the quantum dots. The…
A one-dimensional, dynamic, two-phase, isothermal model of proton exchange membrane fuel cell systems using a finite-difference approach has been developed. This model balances the simplicity of lumped-parameter models with the detailed…