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Diabatization of the molecular Hamiltonian is a standard approach to removing the singularities of nonadiabatic couplings at conical intersections of adiabatic potential energy surfaces. In general, it is impossible to eliminate the…

Chemical Physics · Physics 2021-03-26 Seonghoon Choi , Jiří Vaníček

We propose a novel method to describe realistically ionization processes with absorbing boundary conditions in basis expansion within the formalism of the so-called Non-Adiabatic Quantum Molecular Dynamics. This theory couples…

Quantum Physics · Physics 2015-06-26 Mathias Uhlmann , Thomas Kunert , Ruediger Schmidt

We introduce here a coherent technique to inject, extract, and velocity filter neutral atoms in a ring trap coupled via tunneling to two additional waveguides. By adiabatically following the transverse spatial dark state, the proposed…

Atomic Physics · Physics 2015-06-19 Yurii Loiko , Veronica Ahufinger , Ricard Menchon-Enrich , Gerhard Birkl , Jordi Mompart

An approach to non-adiabatic dynamics of atoms in molecular and condensed matter systems under general non-equilibrium conditions is proposed. In this method interaction between nuclei and electrons is considered explicitly up to the second…

Materials Science · Physics 2018-08-01 L. Kantorovich

Transition amplitudes between instantaneous eigenstates of quantum two-level system are evaluated analytically on the basis of a new parametrization of its evolution operator, which has recently been proposed to construct exact solutions.…

Quantum Physics · Physics 2018-03-28 Takayuki Suzuki , Hiromichi Nakazato , Roberto Grimaudo , Antonino Messina

Adiabatic limit is the presumption of the adiabatic geometric quantum computation and of the adiabatic quantum algorithm. But in reality, the variation speed of the Hamiltonian is finite. Here we develop a general formulation of adiabatic…

Quantum Physics · Physics 2009-11-10 Yu Shi , Yong-Shi Wu

We introduce a method where successive coordinate transformations are applied to decrease the error in the adiabatic master equation resulting from truncation in the local adiabatic parameter. Our method reduces the nonphysical behaviour…

Superconductivity · Physics 2011-12-22 Juha Salmilehto , Mikko Möttönen

This paper presents analytic formulas for various transition times in the Landau-Zener model. Considerable differences are found between the transition times in the diabatic and adiabatic bases, and between the jump time (the time for which…

Quantum Physics · Physics 2009-10-31 N. V. Vitanov

Bayesian inference with stochastic models is often difficult because their likelihood functions involve high-dimensional integrals. Approximate Bayesian Computation (ABC) avoids evaluating the likelihood function and instead infers model…

Choosing an appropriate representation of the molecular Hamiltonian is one of the challenges faced by simulations of the nonadiabatic quantum dynamics around a conical intersection. The adiabatic, exact quasidiabatic, and strictly diabatic…

Chemical Physics · Physics 2024-09-26 Seonghoon Choi , Jiří Vaníček

Ab initio modeling of conical intersection dynamics is crucial for various photochemical, photophysical, and biological processes. However, adiabatic electronic states obtained from electronic structure computations involve random phases,…

Chemical Physics · Physics 2024-06-13 Xiaotong Zhu , Bing Gu

Exceptional points, the spectral degeneracy points in the complex parameter space, are fundamental to non-Hermitian quantum systems. The dynamics of non-Hermitian systems in the presence of exceptional points differ significantly from those…

Quantum Physics · Physics 2021-01-29 Chon-Fai Kam , Yang Chen

We present an efficient new computational method for calculating the binding energies of the bound states of ultracold alkali-metal dimers in the presence of magnetic fields. The method is based on propagation of coupled differential…

Chemical Physics · Physics 2009-11-13 Jeremy M. Hutson , Eite Tiesinga , Paul S. Julienne

We aim to give more insights on adiabatic evolution concerning the occurrence of anti-crossings and their link to the spectral minimum gap $\Delta_{min}$. We study in detail adiabatic quantum computation applied to a specific combinatorial…

Quantum Physics · Physics 2022-04-13 Arthur Braida , Simon Martiel

We demonstrate the possibility of (sub)exponential quantum speedup via a quantum algorithm that follows an adiabatic path of a gapped Hamiltonian with no sign problem. This strengthens the superpolynomial separation recently proved by…

Quantum Physics · Physics 2020-11-20 András Gilyén , Umesh Vazirani

We analyze the problem of optimal adiabatic passage through a quantum critical point. We show that to minimize the number of defects the tuning parameter should be changed as a power-law in time. The optimal power is proportional to the…

Other Condensed Matter · Physics 2008-08-15 Roman Barankov , Anatoli Polkovnikov

We extend the concept of superadiabatic dynamics, or transitionless quantum driving, to quantum open systems whose evolution is governed by a master equation in the Lindblad form. We provide the general framework needed to determine the…

Quantum Physics · Physics 2015-06-16 G. Vacanti , R. Fazio , S. Montangero , G. M. Palma , M. Paternostro , V. Vedral

The analytical expression for shortcuts to adiabaticity for any switching time and any thermally isolated system performing a finite-time and weakly driven process is presented. It is based on the analytical solution of the optimal…

Quantum Physics · Physics 2025-09-26 Pierre Nazé

An one dimensional adiabatic model has been proposed for fusion of loosely bound and halo light nuclei with various heavy targets. It is shown that fusion cross sections at near and sub-barrier energies can be explained using a simple WKB…

Nuclear Theory · Physics 2010-11-23 Ajit Kumar Mohanty

Adiabatic quantum algorithms represent a promising approach to universal quantum computation. Whilst in a closed system these algorithms are limited by avoided level crossings, where the gap becomes exponentially small in the system size,…

Quantum Physics · Physics 2016-10-12 Dominik S. Wild , Sarang Gopalakrishnan , Michael Knap , Norman Y. Yao , Mikhail D. Lukin