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In this paper, we present a U(1)-invariant expansion theory of the adiabatic process. As its application, we propose and discuss new sufficient adiabatic approximation conditions. In the new conditions, we find a new invariant quantity…
We present an efficient \textit{ab initio} algorithm for quantum dynamics simulations of interacting systems that is based on the conditional decomposition of the many-body wavefunction [Phys. Rev. Lett. 113, 083003 (2014)]. Starting with…
We provide a general formula of quantum transfer that includes the non-adiabatic effect under periodic environmental modulation by using full counting statistics in Hilbert-Schmidt space. Applying the formula to an anharmonic junction model…
For adiabatic controls of quantum systems, the non-adiabatic transitions are reduced by increasing the operation time of processes. Perfect quantum adiabaticity usually requires the infinitely slow variation of control parameters. In this…
A quantum mechanical model on histone modification is proposed. Along with the methyl / acetate or other groups bound to the modified residues the torsion angles of the nearby histone chain are supposed to participate in the quantum…
Quantum thermodynamics aims at investigating both the emergence and the limits of the laws of thermodynamics from a quantum mechanical microscopic approach. In this scenario, thermodynamic processes with no heat exchange, namely, adiabatic…
Mixed-quantum-classical molecular dynamics simulation implies an effective measurement on the electronic states owing to continuously tracking the atomic forces.Based on this insight, we propose a quantum trajectory mean-field approach for…
We review mathematical results concerning exponentially small corrections to adiabatic approximations and Born--Oppenheimer approximations.
We discuss systematically several possible inequivalent ways to describe the dynamics and the transition probabilities of a quantum system when its hamiltonian is not self-adjoint. In order to simplify the treatment, we mainly restrict our…
Quantum theory can be regarded as a non-commutative generalization of classical probability. From this point of view, one expects quantum dynamics to be analogous to classical conditional probabilities. In this paper, a variant of the…
On-the-fly quantum nonadiabatic dynamics for large systems greatly benefits from the adiabatic representation readily available from the electronic structure programs. However, frequently occurring in this representation conical…
Adiabatic quantum computation is based on the adiabatic evolution of quantum systems. We analyse a particular class of qauntum adiabatic evolutions where either the initial or final Hamiltonian is a one-dimensional projector Hamiltonian on…
We prove the existence of a unitary transformation that enables two arbitrarily given Hamiltonians in the same Hilbert space to be transformed into one another. The result is straightforward yet, for example, it lays the foundation to…
The system undergoes adiabatic evolution when its population in the instantaneous eigenbasis of its time-dependent Hamiltonian changes only negligibly. Realization of such dynamics requires slow-enough changes of the parameters of the…
Many physically interesting models show a quantum phase transition when a single parameter is varied through a critical point, where the ground state and the first excited state become degenerate. When this parameter appears as a coupling…
The adiabatic quantum algorithm has drawn intense interest as a potential approach to accelerating optimization tasks using quantum computation. The algorithm is most naturally realised in systems which support Hamiltonian evolution, rather…
We propose a transport probe scheme to detect the nonadiabatic transition caused by Majornana moving, which is relevant to the braiding operations in topological quantum computation. The scheme is largely based on a time dependent…
We propose a method to compute free-energy differences from nonadiabatic alchemical transformations using flow-based generative models. The method, nonadiabatic force matching, hinges on estimating the dissipation along an alchemical…
In this paper we study a Hamiltonian system with a spatially asymmetric potential. We are interested in the effects on the dynamics when the potential becomes symmetric slowly in time. We focus on a highly simplified non-trivial model…
Quantum adiabatic transfer is widely used in quantum computation and quantum simulation. However, the transfer speed is limited by the quantum adiabatic approximation condition, which hinders its application in quantum systems with a short…