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Virial Relations for Electrons Coupled to Quantum Field Modes.

ABSTRACT: 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.

SUBMITTER: Theophilou I

PROVIDER: S-EPMC7558318 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature

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Virial Relations for Electrons Coupled to Quantum Field Modes.

Theophilou Iris I Penz Markus M Ruggenthaler Michael M Rubio Angel A

Journal of chemical theory and computation 20200904 10

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 r ...[more]

PMID: 32816479

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Virial Relations for Electrons Coupled to Quantum Field Modes.

Publications

Virial Relations for Electrons Coupled to Quantum Field Modes.

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