Using a modified version of the Tavis-Cummings-Hubbard model to simulate the formation of neutral hydrogen molecule

• URL: http://arxiv.org/abs/2209.09607v6
• Date: Fri, 14 Jul 2023 13:48:03 GMT
• Title: Using a modified version of the Tavis-Cummings-Hubbard model to simulate the formation of neutral hydrogen molecule
• Authors: Miao Hui-hui and Ozhigov Yuri Igorevich
• Abstract summary: finite-dimensional chemistry model with two two-level artificial atoms on quantum dots positioned in optical cavities is described. The association of atoms in the molecule is simulated through a quantum master equation. Investigated are the effects of temperature variation of various photonic modes on quantum evolution and neutral hydrogen molecule formation.
• Score: 0.0
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• Abstract: A finite-dimensional chemistry model with two two-level artificial atoms on quantum dots positioned in optical cavities, called the association-dissociation model of neutral hydrogen molecule, is described. The initial circumstances that led to the formation of the synthetic neutral hydrogen molecule are explained. In quantum form, nuclei's mobility is portrayed. The association of atoms in the molecule is simulated through a quantum master equation, incorporating hybridization of atomic orbitals into molecular - depending on the position of the nuclei. Consideration is also given to electron spin transitions. Investigated are the effects of temperature variation of various photonic modes on quantum evolution and neutral hydrogen molecule formation. Finally, a more precise model including covalent bond and simple harmonic oscillator (phonon) is proposed.

Related papers

• Simulating and comparing the quantum and classical mechanically motion of two hydrogen atoms [0.0]
  A modified version of Tavis-Cummings-Hubbard model with two two-level artificial atoms in optical cavities is described. The motion of these two atoms (nuclei) both quantum and classical mechanically is compared.
  arXiv  Detail & Related papers  (2024-05-30T17:43:57Z)
• Semiclassical truncated-Wigner-approximation theory of molecular-vibration-polariton dynamics in optical cavities [0.0]
  We develop here the semiclassical theory of molecular-vibration-polariton dynamics based on the truncated Wigner approximation (TWA) The validity of TWA is examined by comparing it with the fully quantum dynamics of a single-molecule system. The collective and resonance effects of molecular-vibration-polariton formation on the nuclear dynamics are observed in a system of many molecules.
  arXiv  Detail & Related papers  (2023-11-14T01:06:22Z)
• Modeling Non-Covalent Interatomic Interactions on a Photonic Quantum Computer [50.24983453990065]
  We show that the cQDO model lends itself naturally to simulation on a photonic quantum computer. We calculate the binding energy curve of diatomic systems by leveraging Xanadu's Strawberry Fields photonics library. Remarkably, we find that two coupled bosonic QDOs exhibit a stable bond.
  arXiv  Detail & Related papers  (2023-06-14T14:44:12Z)
• Comparing the effects of nuclear and electron spins on the formation of neutral hydrogen molecule [0.0]
  We introduce the association-dissociation model of neutral hydrogen molecule. The motion of the nuclei can be represented in quantum form. Consideration is also given to the effects of nuclear and electron spins on the formation of neutral hydrogen molecule.
  arXiv  Detail & Related papers  (2023-03-18T13:18:18Z)
• Cavity-Catalyzed Hydrogen Transfer Dynamics in an Entangled Molecular Ensemble under Vibrational Strong Coupling [0.0]
  We numerically solve the Schr"odinger equation to study the cavity-induced quantum dynamics in an ensemble of molecules. We show that the cavity indeed enforces hydrogen transfer from an enol to an enethiol configuration with transfer rates significantly increasing with light-matter interaction strength. A non-trivial dependence of the dynamics on ensemble size is found, clearly beyond scaled single-molecule models.
  arXiv  Detail & Related papers  (2023-01-10T16:58:57Z)
• Stochastic Variational Approach to Small Atoms and Molecules Coupled to Quantum Field Modes [55.41644538483948]
  We present a variational calculation (SVM) of energies and wave functions of few particle systems coupled to quantum fields in cavity QED. Examples for a two-dimensional trion and confined electrons as well as for the He atom and the Hydrogen molecule are presented.
  arXiv  Detail & Related papers  (2021-08-25T13:40:42Z)
• Relativistic aspects of orbital and magnetic anisotropies in the chemical bonding and structure of lanthanide molecules [60.17174832243075]
  We study the electronic and ro-vibrational states of heavy homonuclear lanthanide Er2 and Tm2 molecules by applying state-of-the-art relativistic methods. We were able to obtain reliable spin-orbit and correlation-induced splittings between the 91 Er2 and 36 Tm2 electronic potentials dissociating to two ground-state atoms.
  arXiv  Detail & Related papers  (2021-07-06T15:34:00Z)
• About chemical modifications of finite dimensional models of QED [0.0]
  Moving both photons and atoms is possible between the cavities. Super dark states of diatomic systems are described, in which the motion of atoms between cavities is impossible due quantum interference.
  arXiv  Detail & Related papers  (2021-07-06T08:07:31Z)
• Molecular Interactions Induced by a Static Electric Field in Quantum Mechanics and Quantum Electrodynamics [68.98428372162448]
  We study the interaction between two neutral atoms or molecules subject to a uniform static electric field. Our focus is to understand the interplay between leading contributions to field-induced electrostatics/polarization and dispersion interactions.
  arXiv  Detail & Related papers  (2021-03-30T14:45:30Z)
• Evolution of a Non-Hermitian Quantum Single-Molecule Junction at Constant Temperature [62.997667081978825]
  We present a theory for describing non-Hermitian quantum systems embedded in constant-temperature environments. We find that the combined action of probability losses and thermal fluctuations assists quantum transport through the molecular junction.
  arXiv  Detail & Related papers  (2021-01-21T14:33:34Z)
• Quantum Simulation of 2D Quantum Chemistry in Optical Lattices [59.89454513692418]
  We propose an analog simulator for discrete 2D quantum chemistry models based on cold atoms in optical lattices. We first analyze how to simulate simple models, like the discrete versions of H and H$+$, using a single fermionic atom. We then show that a single bosonic atom can mediate an effective Coulomb repulsion between two fermions, leading to the analog of molecular Hydrogen in two dimensions.
  arXiv  Detail & Related papers  (2020-02-21T16:00:36Z)

This list is automatically generated from the titles and abstracts of the papers in this site.

This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.