Related papers: A diabatic state model for double proton transfer …
A two-state model Hamiltonian is proposed to model the coupling of twisting displacements to charge-transfer behavior in the ground and excited states of a general monomethine dye molecule. This coupling may be relevant to the molecular…
A two-fluid model is proposed to describe the transport properties of granular superconductors. Using the resistively shunted junction model and some aspects of the two-level system theory, a statistical model is developed which takes into…
Based on a simplest molecular orbital theory of H$_{2}^{+}$, a three-parameter model potential function is proposed to describe ground-state diatomic systems with closed-shell and/or S-type valence-shell constituents over a significantly…
The protonic conductivity in the hydrogen bonded chains is investigated theoretically in the framework of the two-stage transport model. The strong interactions with optical phonon stretching mode are considered. We obtain the transition…
Density-functional theory calculations are performed to investigate hydrogen transport in the proton conductor BaSnO$_3$. Structural optimizations in the stable and saddle point configurations for transfer and reorientation allow…
Transitions among different mechanisms of two-proton decay are studied in general. The introduced improved direct-decay model generalizes the semi-analytical models used before and provides flawless phenomenological description of…
The active manipulation of topologically protected states represents a pivotal frontier for quantum technologies, offering a unique confluence of topological robustness and precise quantum control. We propose an adiabatic pumping scheme for…
A comparative study of two earlier three-state and fifteen-state [Chaudhuri et al., Pramana- J. Phys., 43, 175 (1994); ibid., Phys. Rev. A, 52, 1137 (1995)] close-coupled treatments of He2+-He single and double charge transfer collisions is…
We study a model of a light-induced proton pump in artificial reaction centers. The model contains a molecular triad with four electron states (i.e., one donor state, two photosensitive group states, and one acceptor state) as well as a…
We present two models for electron-driven uphill proton transport across lipid membranes, with the electron energy converted to the proton gradient via the electrostatic interaction. In the first model, associated with the cytochrome c…
The parity-allowed two-photon transitions between the ground state 3A2(T2) of the configuration 3d8 in cubical symmetry and the excited states of the same configuration are obtained via a simple model. This model is developed in a symmetry…
Entangled states of two ions are realized by using an adiabatic process. Based on the proposal by Linington and Vitanov, we have generated Dicke states in optical qubits of two $^{40}$Ca$^+$ ions by applying frequency-chirped optical pulses…
Electron transfer is an important and fundamental process in chemistry, biology and physics, and has received significant attention in recent years. Perhaps one of the most intriguing questions concerns with the realization of the…
We adapt a variational procedure to calculate ground state properties of the Holstein model in the adiabatic limit. At strong coupling, this adaption leads to rapid convergence of results. The intermediate coupling regime is further handled…
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…
A diabatization method is developed for the approximated description of the photoinduced charge separation/transfer processes in the van der Waals (vdW) heterostructure complex, which is based on the wavefunction projection approach using a…
Charge transfer (CT) processes that are electronically non-adiabatic are ubiquitous in chemistry, biology, and materials science, but their theoretical description requires diabatic states or adiabatic excited states. For complex systems,…
The process of protons transport in molecular water chains is of fundamental interest for many biological systems. Although many features of such systems can be analyzed using large-scale computational modeling, other features are better…
Based on the reduced density matrix method, we compare two different approaches to calculate the dynamics of the electron transfer in systems with donor, bridge, and acceptor. In the first approach a vibrational substructure is taken into…
We present here a formally exact model for electronic transitions between an initial (donor) and final (acceptor) states linked by an intermediate (bridge) state. Our model incorporates a common set of vibrational modes that are coupled to…