Related papers: Coupling electrons and vibrations in molecular qua…
The response of a test particle, both for the free case and under the harmonic oscillator potential, to circularly polarized gravitational waves is investigated in a noncommutative quantum mechanical setting. The system is quantized…
The conformational change of biological macromolecule is investigated from the point of quantum transition. A quantum theory on protein folding is proposed. Compared with other dynamical variables such as mobile electrons, chemical bonds…
We present a non-perturbative framework for deriving effective Hamiltonians that describe low-energy excitations in quantum many-body systems. The method combines block diagonalization based on the Cederbaum--Schirmer--Meyer transformation…
We present a way of partly reincorporate the effects of the localized bonding electrons on the dynamics of their itinerant counterparts in Hubbard-like Hamiltonians. This is done by relaxing the constraint that the former should be entirely…
The relaxation dynamics of correlated electron transport (ET) along molecular chains is studied based on a substantially improved numerically exact path integral Monte Carlo (PIMC) approach. As archetypical model we consider a Hubbard chain…
In this paper we consider pairs of interacting electrons moving in a simple quantum wire, namely the half-line. In particular, we extend the results obtained in [arXiv:1708.03753] by allowing for contact interactions of the Lieb-Liniger…
We use the effective Hamiltonian that we recently fitted against the first 306 experimentally observed vibronic transitions of NO2 [J. Chem. Phys. 119, 5923 (2003)] to investigate the time domain nonadiabatic dynamics of this molecule on…
High control in the preparation and manipulation of states is an experimental and theoretical important task in many quantum protocols. Shortcuts to adiabaticity methods allow to obtain desirable states of a adiabatic dynamics but in short…
The excitation of vibrational modes in molecules affects the outcome of chemical reactions, for example by providing molecules with sufficient energy to overcome activation barriers. In this work, we introduce a quantum algorithm for…
We present a quantum algorithm for simulating rovibrational Hamiltonians on fault-tolerant quantum computers. The method integrates exact curvilinear kinetic energy operators and general-form potential energy surfaces expressed in a hybrid…
Ground state eigenvectors of the reduced Bardeen-Cooper-Schrieffer Hamiltonian are employed as a wavefunction ansatz to model strong electron correlation in quantum chemistry. This wavefunction is a product of weakly-interacting pairs of…
A communication protocol is proposed in which quantum state transfer is mediated by a vibrational exciton. We consider two distant molecular groups grafted on the sides of a lattice. These groups behave as two quantum computers where the…
We consider the quantum dynamics of a test particle in noncommutative space under the influence of linearized gravitational waves in the long wave-length and low-velocity limit. A prescription for quantizing the classical Hamiltonian for…
We study the dynamics of non-adiabatic transitions in non-Hermitian multi-level parabolic models where the separations of the diabatic energies are quadratic function of time. The model Hamiltonian has been used to describe the…
An otherwise free classical particle moving through an extended spatially homogeneous medium with which it may exchange energy and momentum will undergo a frictional drag force in the direction opposite to its velocity with a magnitude…
Chemical relaxation phenomena, including photochemistry and electron transfer processes, form a vigorous area of research in which nonadiabatic dynamics plays a fundamental role. Here, we show that for nonadiabatic dynamics with two…
In this paper, we study the dynamical properties of two coupled quantum harmonic oscillators coupled with bosonic non-Markovian environment both in position and momentum. We deduce the exact analytical master equation using Quantum State…
A collective model is proposed to describe the chiral rotation and vibration and applied to a system with one $h_{11/2}$ proton particle and one $h_{11/2}$ neutron hole coupled to a triaxial rigid rotor. The collective Hamiltonian is…
The one-dimensional Hatano-Nelson model with non-reciprocal hoppings is a prominent example of a relatively simple non-Hermitian quantum-mechanical system, which allows to study various phenomena in open quantum systems without adding extra…
The dissipative quantum electromagnetics is introduced in a comprehensive manner as a field-matter-bath coupling problem. First, the matter is described by a cluster of Lorentz oscillators. Then the Maxwellian free field is coupled to the…