Related papers: A perturbative formalism for electronic transition…
We present a Lagrangian-Hamiltonian formalism of a moving dielectric sphere interacting with radiation fields. By including the interaction up to the first order in the speed of the sphere, we derive the Hamiltonian and perform quantization…
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…
We propose a method to manipulate, possibly faster than adiabatically, four-level systems with time-dependent couplings and constant energy shifts (detunings in quantum-optical realizations). We inversely engineer the Hamiltonian, in…
Large amplitude collective motion is investigated for a model pairing Hamiltonian containing an avoided level crossing. A classical theory of collective motion for the adiabatic limit is applied utilising either a time-dependent mean-field…
We analysed the dynamics of the positively charged ions of diatomic molecules (${\rm X_{2}^{+}}$ and ${\rm XY^{+}}$), in which the bond is realised by the single electron. We assumed that the atomic cores separated by the distance $R$ were…
The interaction between electronic and vibrational degrees of freedom is an important mechanism in nonequilibrium charge transport through molecular nanojunctions. While adiabatic polaron-type coupling has been studied in great detail, new…
Development of quantum engineering put forward new theoretical problems. Behavior of a single mesoscopic cell (device) we may usually describe by equations of quantum mechanics. However if experimentators gather hundreds of thousands of…
Accurate modeling of driven light-matter interactions is essential for quantum technologies, where natural and synthetic atoms are used to store and process quantum information, mediate interactions between bosonic modes, and enable…
We introduce the concept of a "transitory" dynamical system---one whose time-dependence is confined to a compact interval---and show how to quantify transport between two-dimensional Lagrangian coherent structures for the Hamiltonian case.…
When speaking about molecular electronics, the obvious question which occurs is how does one study it theoretically. The simplest theoretical model suitable for application in molecular electronics is the two dimensional Hubbard model. The…
In an attempt to better leverage superconducting quantum computers, scaling efforts have become the central concern. These efforts have been further exacerbated by the increased complexity of these circuits. The added complexity can…
We introduce multistate metadynamics for automatic exploration of conical intersection seams between adiabatic Born-Oppenheimer potential energy surfaces in molecular systems. By choosing the energy gap between the electronic states as a…
The regular structures obtained by optical lattice technology and their behaviour are analysed from the quantum information perspective. Initially, we demonstrate that a triangular optical lattice of two atomic species, bosonic or…
Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient…
We present a model intended for rapid sampling of ground and excited state potential energy surfaces for first-row transition metal active sites. The method is computationally inexpensive and is suited for dynamics simulations where (1)…
We propose introducing an extended Hubbard Hamiltonian derived via the ab initio downfolding method, which was originally formulated for periodic materials, towards efficient quantum computing of molecular electronic structure calculations.…
We present a configuration interaction (CI) framework which serves quantitative and conceptual purposes for charge delocalization and electron transfer processes in molecular systems. The electronic Hamiltonian is expressed in a basis of…
We consider a basic model of the lossless interaction between a moving two-level atom and a standing-wave single-mode laser field. Classical treatment of the translational atomic motion provides the semiclassical Hamilton-Schrodinger…
We describe a general method to study the ground state phase diagram of electronic models on chains whose extended Hubbard hamiltonian is formed by a generalized permutator plus a band-controlling term. The method, based on the appropriate…
We show that a large class of dissipative systems can be brought to a canonical form by introducing complex co-ordinates in phase space and a complex-valued hamiltonian. A naive canonical quantization of these systems lead to non-hermitean…