Related papers: Mutation in DNA: A quantum mechanical non-adiabati…
A generalized formalism of the so-called non-adiabatic quantum molecular dynamics is presented, which applies for atomic many-body systems in external laser fields. The theory treats the nuclear dynamics and electronic transitions…
We concentrate on the geometric potential in the invariant perturbation theory of quantum adiabatic process which is presented in our recent papers. It is found out to be related to the geodesic curvature of the spherical curve in…
We present a real-time path integral theory for the rate of electron transfer reactions. Using graph theoretic techniques, the dynamics is expressed in a formally exact way as a set of integral equations. With a simple approximation for the…
In this paper, we investigate DNA denaturation through Statistical Mechanics and show that exceptional polynomials lead to DNA mutation. We consider a DNA model with two chains connected by Morse potential representing the H bonds, and then…
We discuss bounds for nonadiabatic transitions from the viewpoints of the adiabatic perturbation theory and the quantum speed limit. We show that the amount of nonadiabatic transitions from the $n$th level to the $m$th level is bounded by a…
One of the most important topics in molecular biology is the genetic stability of DNA. One threat to this stability is proton transfer along the hydrogen bonds of DNA that could lead to tautomerisation, hence creating point mutations. We…
We introduce an adiabatic perturbation theory for quantum systems with degenerate energy spectra. This perturbative series enables one to rigorously establish conditions for the validity of the adiabatic theorem of quantum mechanics for…
We review recent results concerning the exponential behaviour of transition probabilities across a gap in the adiabatic limit of the time-dependent Schr\"odinger equation. They range from an exponential estimate in quite general situations…
In quantum adiabatic evolution algorithms, the quantum computer follows the ground state of a slowly varying Hamiltonian. The ground state of the initial Hamiltonian is easy to construct; the ground state of the final Hamiltonian encodes…
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…
A non-adiabatic nuclear wavepacket dynamics simulation of the H$_2$O$^+$ de-excitation process is performed based on electronic structure calculations using the variational quantum eigensolver. The adiabatic potential energy surfaces and…
The quantum adiabatic theorem is fundamental to time dependent quantum systems, but being able to characterize quantitatively an adiabatic evolution in many-body systems can be a challenge. This work demonstrates that the use of appropriate…
Non-adiabatic non-Abelian geometric phase of spin-3/2 system in the rotating magnetic field is considered. Explicit expression for the corresponding effective non-Abelian gauge potential is obtained. This formula can be used for…
Quantum adiabatic evolutions find a broad range of applications in quantum physics and quantum technologies. The traditional form of the quantum adiabatic theorem limits the speed of adiabatic evolution by the minimum energy gaps of the…
Quantum Mechanics is a good example of a successful theory. Most of atomic phenomena are described well by quantum mechanics and cases such as Lamb Shift that are not described by quantum mechanics, are described by quantum electrodynamics.…
We present a method to study rare nonadiabatic dynamics in open quantum systems using transition path sampling and quantum jump trajectories. As with applications of transition path sampling to classical dynamics, the method does not rely…
This is the first in a series of papers addressing the phenomenon of dimensional transmutation in nonrelativistic quantum mechanics within the framework of dimensional regularization. Scale-invariant potentials are identified and their…
Motivated for the fault tolerant quantum computation, quantum gate by adiabatic geometric phase shift is extensively investigated. In this paper, we demonstrate the nonadiabatic scheme for the geometric phase shift and conditional geometric…
In many quantum technologies adiabatic processes are used for coherent quantum state operations, offering inherent robustness to errors in the control parameters. The main limitation is the long operation time resulting from the requirement…
This paper provides the first ab-initio on-the-fly example of using the Quasi-Diabatic (QD) scheme for non-adiabatic simulations with diabatic dynamics approaches. The QD scheme provides a seamless interface between diabatic quantum…