In this work, we present a set of virial relations for many electron systems coupled to both classical and quantum fields, described by the Pauli–Fierz Hamiltonian in dipole approximation and using length gauge. Currently, there is growing interest in solutions of this Hamiltonian because of its relevance for describing molecular systems strongly coupled to photonic modes in cavities and in the possible modification of chemical properties of such systems compared to the ones in free space. The relevance of such virial relations is demonstrated by showing a connection to mass renormalization and by providing an exact way to obtain total energies from potentials in the framework of quantum electrodynamical density functional theory
We introduce a simple scheme to efficiently compute photon exchange-correlation contributions due to...
A computational strategy to analyze the dynamics of coherent electron transfer processes in bridged ...
Experiments at the interface of quantum optics and chemistry have revealed that strong coupling betw...
By applying the Born-Huang expansion, originally developed for coupled nucleus-electron systems, to ...
In recent years tremendous progress in the field of lightmatter interactions has unveiled that stron...
In this article, we review strong light-matter coupling at the interface of materials science, quant...
A detailed understanding of strong matter-photon interactions requires first-principle methods that ...
A quantum mechanical equation H Psi = E Psi is composed of three components, viz., Hamiltonian H, wa...
We derive the full linear-response theory for nonrelativistic quantum electrodynamics in the long wa...
We derive the full linear-response theory for nonrelativistic quantum electrodynamics in the long wa...
Recently, we and our collaborators have extended time-dependent density functional theory (TDDFT) to...
The Schrödinger-Pauli (SP) theory of electrons in an electromagnetic field explicitly accounts for t...
In this work, we provide an overview of how well-established concepts in the fields of quantum chemi...
Chemical and photochemical reactivity, as well as supramolecular organization and several other mole...
Energy transfer in terms of excitation or charge is one of the most basic processes in nature, and u...
We introduce a simple scheme to efficiently compute photon exchange-correlation contributions due to...
A computational strategy to analyze the dynamics of coherent electron transfer processes in bridged ...
Experiments at the interface of quantum optics and chemistry have revealed that strong coupling betw...
By applying the Born-Huang expansion, originally developed for coupled nucleus-electron systems, to ...
In recent years tremendous progress in the field of lightmatter interactions has unveiled that stron...
In this article, we review strong light-matter coupling at the interface of materials science, quant...
A detailed understanding of strong matter-photon interactions requires first-principle methods that ...
A quantum mechanical equation H Psi = E Psi is composed of three components, viz., Hamiltonian H, wa...
We derive the full linear-response theory for nonrelativistic quantum electrodynamics in the long wa...
We derive the full linear-response theory for nonrelativistic quantum electrodynamics in the long wa...
Recently, we and our collaborators have extended time-dependent density functional theory (TDDFT) to...
The Schrödinger-Pauli (SP) theory of electrons in an electromagnetic field explicitly accounts for t...
In this work, we provide an overview of how well-established concepts in the fields of quantum chemi...
Chemical and photochemical reactivity, as well as supramolecular organization and several other mole...
Energy transfer in terms of excitation or charge is one of the most basic processes in nature, and u...
We introduce a simple scheme to efficiently compute photon exchange-correlation contributions due to...
A computational strategy to analyze the dynamics of coherent electron transfer processes in bridged ...
Experiments at the interface of quantum optics and chemistry have revealed that strong coupling betw...