Related papers: Coupling electrons and vibrations in molecular qua…
We study one-dimensional reaction-diffusion models described by master equations and their associated two-state quantum Hamiltonians. By choosing appropriate rates, the equations of motion decouple into certain subsets. We solve the first…
In contrast to classical systems, actual implementation of non-Hermitian Hamiltonian dynamics for quantum systems is a challenge because the processes of energy gain and dissipation are based on the underlying Hermitian system-environment…
The interaction between molecular (atomic) electron(s) and the vacuum field of a reflective cavity generates a significant interest thanks to the rapid developments in nanophotonics. Such interaction which lies within the realm of cavity…
We propose a novel approach to calculate dynamical processes at ultrafast time scale in molecules in which vibrational and electronic motions are strongly mixed. The relevant electronic orbitals and their interactions are described by a…
Learning the structure of the entanglement Hamiltonian (EH) is central to characterizing quantum many-body states in analog quantum simulation. We describe a protocol where spatial deformations of the many-body Hamiltonian, physically…
We introduce a family of Hamiltonian systems for measurement-based quantum computation with continuous variables. The Hamiltonians (i) are quadratic, and therefore two body, (ii) are of short range, (iii) are frustration-free, and (iv)…
Using quantum systems to efficiently solve quantum chemistry problems is one of the long-sought applications of near-future quantum technologies. In a recent work, ultra-cold fermionic atoms have been proposed for these purposes by showing…
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…
Based on the standard many-fermion field theory, the authors construct models describing ultracold fermions in a 1D optical lattices by implementing a mode expansion of the fermionic field operator where modes, in addition to space…
The processing of energy by transfer and redistribution plays a key role in the evolution of dynamical systems. At the ultrasmall and ultrafast scale of nanosystems, quantum coherence could in principle also play a role and has been…
We analyse a nonadiabatic self-consistent field method by means of an exactly-solvable model. The method is based on nuclear and electronic orbitals that are functions of the cartesian coordinates in the laboratory-fixed frame. The kinetic…
In this paper we propose some Hamiltonian characterizing the interaction of the two-level atom and both the single radiation mode and external field, which might be a generalization of that of Sch{\"o}n and Cirac (quant-ph/0212068). We…
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.…
Conservation of energy and momentum in the classical theory of radiating electrons has been a challenging problem since its inception. We propose a formulation of classical electrodynamics in Hamiltonian form that satisfies the Maxwell…
Hamiltonian theory of hybrid quantum-classical systems is used to study dynamics of the classical subsystem coupled to different types of quantum systems. It is shown that the qualitative properties of orbits of the classical subsystem…
A model to describe electronic correlations in energy bands is considered. The model is a generalization of the conventional Hubbard model that allows for the fact that the wavefunction for two electrons occupying the same Wannier orbital…
We describe quantum and classical Hamiltonian dynamics in a common Hilbert space framework, that allows the treatment of mixed quantum-classical systems. The analysis of some examples illustrates the possibility of entanglement between…
The (group and spin space) matrix Hamiltonian describing the dynamics of a nonrelativistic spin 1/2 particle moving in a static, but spatially dependent, non-Abelian magnetic field in two spatial dimensions is shown to take the form of an…
A model subspace configuration interaction method is developed to obtain chemically accurate electron correlations by diagonalising a very compact effective Hamiltonian of realistic molecule. The construction of the effective Hamiltonian is…
We present two examples of non-Hermitian Hamiltonians which consist of an unperturbed part plus a perturbation that behaves like a vector, in the framework of PT quantum mechanics. The first example is a generalization of the recent work by…