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In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…

We derive an electron-vibration model Hamiltonian in a quantum chemical framework, and explore the extent to which such a Hamiltonian can capture key effects of nonadiabatic dynamics. The model Hamiltonian is a simple two-body operator, and…

Chemical Physics · Physics 2021-02-03 Thomas Dresselhaus , Callum B. A. Bungey , Peter J. Knowles , Frederick R. Manby

In the present communication the Bayesian conditional probability approach is applied to the wave function of a many-electron system that results in appearance of a quantum vector potential in the DFT Schrodinger equation due to electron…

Chemical Physics · Physics 2012-12-05 R. Tsekov , G. N. Vayssilov

The interaction Hamiltonian of an electron and a quasi-monochromatic pulse of a strong quantized electromagnetic field is examined. Canonical transformations of the field variables are found that allow the division of the system's…

Quantum Physics · Physics 2015-06-17 O. D. Skoromnik , I. D. Feranchuk

The virial and the Hellmann--Feynman theorems for massless Dirac electrons in a solid are derived and analyzed using generalized continuity equations and scaling transformations. Boundary conditions imposed on the wave function in a finite…

Mesoscale and Nanoscale Physics · Physics 2019-11-18 Alexey A. Sokolik , Andrey D. Zabolotskiy , Yurii E. Lozovik

We evaluate the effect of quantum electrodynamics on the correlations between Dirac field modes corresponding electron-positron pairs of opposite momenta generated by expansion of an asymptotically flat Friedmann-Robertson-Walker (FRW)…

High Energy Physics - Theory · Physics 2018-12-26 L. N. Machado , H. A. S. Costa , I. G. da Paz , M. Sampaio , Jonas B. Araujo

The accuracy of charge-transfer excitation energies, solvatochromic shifts and other environmental effects calculated via various density embedding techniques depend critically on the approximations employed for the non-additive…

Chemical Physics · Physics 2020-02-04 Kaili Jiang , Martín A. Mosquera , Yan Oueis , Adam Wasserman

In this work, we present a stochastic variational calculation (SVM) of energies and wave functions of few particle systems coupled to quantum fields in cavity QED. The light-matter coupled system is described by the Pauli-Fierz Hamiltonian.…

Mesoscale and Nanoscale Physics · Physics 2022-01-05 Alexander Ahrens , Chenhang Huang , Matt Beutel , Cody Covington , Kalman Varga

We examine the dipole approximated Pauli-Fierz Hamiltonians of the nonrelativistic QED. We assume that the Coulomb potential of the nuclei together with the Coulomb interaction between the electrons can be approximated by harmonic…

Mathematical Physics · Physics 2020-04-28 Tadahiro Miyao

We study light-mediated interactions between spatially separated molecules using real-time quantum electrodynamical time-dependent density functional theory based on the Pauli-Fierz Hamiltonian. An ultrashort delta-kick excitation…

Chemical Physics · Physics 2026-01-22 Yetmgeta Aklilu , Tiany Yang , Cody Covington , Kalman Varga

We develop coupled-cluster theory for systems of electrons strongly coupled to photons, providing a promising theoretical tool in polaritonic chemistry with a perspective of application to all types of fermion-boson coupled systems. We show…

The Hamiltonian of relativistic particles with electric and magnetic dipole moments that interact with an electromagnetic field is determined in the Foldy-Wouthuysen representation. Transition to the semiclassical approximation is carried…

High Energy Physics - Phenomenology · Physics 2007-05-23 A. J. Silenko

We present a framework for quantization of electromagnetic field in the presence of dielectric media with time-varying optical properties. Considering a microscopic model for the dielectric as a collection of matter fields interacting with…

Quantum Physics · Physics 2023-11-15 Ashwith Prabhu , Jennifer Parra-Contreras , Elizabeth A. Goldschmidt , Kanu Sinha

We consider the Pauli--Fierz model, which describes a particle (an electron) coupled to the quantized electromagnetic field and limit the number of photons to less than 2. By computing \red{the resolvent explicitly}, we located the spectrum…

Mathematical Physics · Physics 2020-07-21 D. Dayantsolmon , A. Galtbayar

By means of functional integrations spectral properties of semi-relativistic Pauli-Fierz Hamiltonians in quantum electrodynamics is considered. Two self-adjoint extensions of a semi-relativistic Pauli-Fierz Hamiltonian are defined. An…

Mathematical Physics · Physics 2014-02-28 Fumio Hiroshima

We investigate the ground state energy of an electron coupled to a photon field. First, we regard the self-energy of a free electron, which we describe by the Pauli-Fierz Hamiltonian. We show that, in the case of small values of the…

Mathematical Physics · Physics 2016-11-23 Christian Hainzl

In a recent paper [S.El Boustani, P.R.Buenzli, and Ph.A.Martin, Phys.Rev. E 73, 036113 (2006) cond-mat/0511537], about quantum charges in equilibrium with radiation, among other things the asymptotic form of the electric-field correlation…

Statistical Mechanics · Physics 2009-11-11 B. Jancovici

We present the theoretical derivation and numerical implementation of the linear response equations for relativistic quantum electrodynamical density functional theory (QEDFT). In contrast to previous works based on the Pauli-Fierz…

Chemical Physics · Physics 2024-07-09 Lukas Konecny , Valeriia P. Kosheleva , Heiko Appel , Michael Ruggenthaler , Angel Rubio

We provide a theoretical description for the coupling between the intersubband excitations of a bi-dimensional electron gas with the electromagnetic field. This description, based on the electrical dipole gauge, applies to an arbitrary…

Quantum Gases · Physics 2012-12-21 Yanko Todorov , Carlo Sirtori

We use the polarized Fock states to describe the coupled molecule-cavity hybrid system in quantum electrodynamics. The molecular permanent dipoles polarize the photon field by displacing its vector potential, leading to non-orthogonality…

Quantum Physics · Physics 2020-05-04 Arkajit Mandal , Sebastian Montillo Vega , Pengfei Huo
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