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Nonadiabatic dynamical processes are one of the most important quantum mechanical phenomena in chemical, materials, biological, and environmental molecular systems, where the coupling between different electronic states is either inherent…
The celebrated Meyer-Miller mapping model has been a useful approach for generating practical trajectory-based nonadiabatic dynamics methods. It is generally assumed that the zero-point-energy (ZPE) parameter is positive. The constraint…
We propose a trajectory-based method for simulating nonadiabatic dynamics in molecular systems with two coupled electronic states. Employing a quantum-mechanically exact mapping of the two-level problem to a spin-1/2 coherent state, we…
We report recent progress on the phase space formulation of quantum mechanics with coordinate-momentum variables, focusing more on new theory of (weighted) constraint coordinate-momentum phase space for discrete-variable quantum systems.…
In this work we present a general formalism to treat non-Hermitian and noncommutative Hamiltonians. This is done employing the phase-space formalism of quantum mechanics, which allows to write a set of robust maps connecting the Hamitonians…
Phase-space features of the Wigner flow for generic one-dimensional systems with a Hamiltonian, $H^{W}(q,\,p)$, constrained by the $\partial ^2 H^{W} / \partial q \partial p = 0$ condition are analytically obtained in terms of Wigner…
We study the adiabatic limit in the density matrix approach for a quantum system coupled to a weakly dissipative medium. The energy spectrum of the quantum model is supposed to be non-degenerate. In the absence of dissipation, the geometric…
We have recently developed the \textit{constraint} coordinate-momentum \textit{phase space} (CPS) formulation for finite-state quantum systems. It has been implemented for the electronic subsystem in nonadiabatic transition dynamics to…
We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic energy levels, a corresponding isomorphic Hamiltonian is…
The Bopp's shifts will be generalized through symplectic formalism. A special procedure, like a "diagonalization", which drives the completely deformed symplectic matrix to the standard symplectic form was found as suggested by…
Noncommutative phase space of an arbitrary dimension is considered. The both of operators coordinates and momenta in noncommutative phase space may be noncommutative. In this paper, we introduce momentum-momentum noncommutativity in…
We recently derived a spin-mapping approach for treating the nonadiabatic dynamics of a two-level system in a classical environment [J. Chem. Phys. 151, 044119 (2019)] based on the well-known quantum equivalence between a two-level system…
Nonadiabatic holonomic quantum computation has received increasing attention due to the merits of both robustness against control errors and high-speed implementation. A crucial step in realizing nonadiabatic holonomic quantum computation…
While it is well-known that every nearly-periodic Hamiltonian system possesses an adiabatic invariant, extant methods for computing terms in the adiabatic invariant series are inefficient. The most popular method involves the heavy…
We consider an invariant skew-symmetric phase-space metric for non-Hamiltonian systems. We say that the metric is an invariant if the metric tensor field is an integral of motion. We derive the time-dependent skew-symmetric phase-space…
We propose an experimentally feasible scheme to achieve quantum computation based on nonadiabatic geometric phase shifts, in which a cyclic geometric phase is used to realize a set of universal quantum gates. Physical implementation of this…
Appearance of adiabatic geometric phase shift in the context of noncommutative quantum mechanics is studied using an exactly solvable model of 2D simple harmonic oscilator in Moyal plane, where momentum non-commutativity are also considered…
In principle, non-Hermitian quantum equations of motion can be formulated using as a starting point either the Heisenberg's or the Schr\"odinger's picture of quantum dynamics. Here it is shown in both cases how to map the algebra of…
At this paper, it is considered to find a way for defining non-commutative spaces by ordinary commutative ones and vice versa. A novel parameter which has not been considered so far is represented. This parameter describes equivalent…
We analyze the equilibrium statistical mechanics of canonical, non-canonical and non-Hamiltonian equations of motion by throwing light into the peculiar geometric structure of phase space. Some fundamental issues regarding time translation…