Related papers: Nonadiabatic ring-polymer instanton rate theory: a…
Non-adiabatic dynamics at molecule-metal interfaces govern diverse and technologically important phenomena, from heterogeneous catalysis to dye-sensitized solar energy conversion and charge transport across molecular junctions. Realistic…
The adiabatic theorem states that if we prepare a quantum system in one of the instantaneous eigenstates then the quantum number is an adiabatic invariant and the state at a later time is equivalent to the instantaneous eigenstate at that…
We study the rate of activated motion over multiple barriers, in particular the correlated double-jump of an adatom diffusing on a missing-row reconstructed Platinum (110) surface. We develop a Transition Path Theory, showing that the…
Nonadiabatic holonomic quantum computation has received increasing attention due to its robustness against control errors as well as high-speed realization. Several schemes of its implementation have been put forward based on various…
The application of adiabatic protocols in quantum technologies is severely limited by environmental sources of noise and decoherence. Shortcuts to adiabaticity by counterdiabatic driving constitute a powerful alternative that speed up…
A novel mixed quantum-classical approach to simulating nonadiabatic dynamics of molecules at metal surfaces is presented. The method combines the numerically exact hierarchical equations of motion approach for the quantum electronic degrees…
We investigate microscopically the tunneling dynamics in spontaneous fission of atomic nuclei. To this end, we employ a schematic solvable model with a pairing-plus-quadrupole interaction. The spontaneous decay of a system is simulated by…
Adiabatic transformation can be approximated as alternating unitary operators of a Hamiltonian and its parameter derivative as proposed in a gate-based approach to counterdiabatic driving (van Vreumingen, arXiv:2406.08064). In this paper,…
We explore an asymmetric two-fermion Hubbard dimer to test the accuracy of the adiabatic approximation of time-dependent density functional theory in modelling time-resolved charge transfer. We show that the model shares essential features…
Quantum pumping, in its different forms, is attracting attention from different fields, from fundamental quantum mechanics, to nanotechnology, to superconductivity. We investigate the crossover of quantum pumping from the adiabatic to the…
Adiabatic gauge potential is the origin of nonadiabatic transitions. In counterdiabatic driving, which is a method of shortcuts to adiabaticity, adiabatic gauge potential can be used to realize identical dynamics to adiabatic time evolution…
This work explores the relationship between optimal control theory and adiabatic passage techniques in quantum systems. The study is based on a geometric analysis of the Hamiltonian dynamics constructed from the Pontryagin Maximum…
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…
Non-adiabatic molecular phenomena, arising from the breakdown of the Born-Oppenheimer approximation, govern the fate of virtually all photo-physical and photochemical processes and limit the quantum efficiency of molecules and other…
If the photon energy is much less than the electron binding energy, ionization of an atom by a strong optical field is often described in terms of electron tunneling through the potential barrier resulting from the superposition of the…
The evolution of a driven quantum system is said to be adiabatic whenever the state of the system stays close to an instantaneous eigenstate of its time-dependent Hamiltonian. The celebrated quantum adiabatic theorem ensures that such pure…
Nonadiabatic molecular dynamics is an effective method for modeling nonradiative decay in electronically excited molecules. Its accuracy depends strongly on the quality of the potential energy surfaces, and its affordability for long…
Shortcuts to adiabaticity are alternative fast processes which reproduce the same final state as the adiabatic process in a finite or even shorter time, which have been extended from Hermitian systems to non-Hermitian systems in recent…
{(Anti-)instanton behaviour in Euclidean non-abelian field of the point-like source is studied by analyzing the possible (anti-)instanton deformations as resulted from the variations of its characteristic parameters. The variational…
Real-time simulations of laser-driven electron dynamics contain information about molecular optical properties through all orders in response theory. These properties can be extracted by assuming convergence of the power series expansion of…