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We propose a driven optical cavity quantum electrodynamics (QED) set up aimed at directly probing energy transport dynamics in photosynthetic biomolecules. We show that detailed information concerning energy transfer paths and…

We study analytically the dynamics of cavity QED nodes in a practical quantum network. Given a single 3-level $\Lambda$-type atom or quantum dot coupled to a micro-cavity, we derive several necessary and sufficient criteria for the coherent…

Quantum Physics · Physics 2007-05-23 David Fattal , Ray Beausoleil , Yoshihisa Yamamoto

The dissipative dynamics of many-electron systems interacting with a thermal environment has remained a long-standing challenge within time-dependent density functional theory (TDDFT). Recently, the formal foundations of open quantum…

Other Condensed Matter · Physics 2015-05-20 David G. Tempel , Alán Aspuru-Guzik

Quantum Optimal Control Theory (QOCT) provides the necessary tools to theoretically design driving fields capable of controlling a quantum system towards a given state or along a prescribed path in Hilbert space. This theory must be…

Atomic and Molecular Clusters · Physics 2013-05-30 Alberto Castro , Jan Werschnik , Eberhard K. U. Gross

The development of high-performance electron sources requires theoretical frameworks that accurately link the microscopic electronic properties of cathode materials to their macroscopic photoemission observables. Here, we present a…

Materials Science · Physics 2026-02-16 Richard Schier , Chen Wang , Jonas Dube , Julius Kühn , Alice Galdi , Thorsten Kamps , Caterina Cocchi

The optimized effective potential (OEP) method is a promising technique for calculating the ground state properties of a system within the density functional theory. However, it is not widely used as its computational cost is rather high…

Materials Science · Physics 2016-12-15 Taro Fukazawa , Hisazumi Akai

Orbital-free density functional theory (OF-DFT) provides an alternative approach for calculating the molecular electronic energy, relying solely on the electron density. In OF-DFT, both the ground-state density is optimized variationally to…

Chemical Physics · Physics 2023-11-23 Alexandre de Camargo , Ricky T. Q. Chen , Rodrigo A. Vargas-Hernández

Density functional theory (DFT) has greatly expanded our ability to affordably compute and understand electronic ground states, by replacing intractable {\em ab initio} calculations by models based on paradigmatic physics from high- and…

Chemical Physics · Physics 2023-03-29 Tim Gould , Derk P. Kooi , Paola Gori-Giorgi , Stefano Pittalis

We propose a scheme for triggering a dissipation dominated highly efficient excitation transfer from a single photon wave packet to a single quantum emitter. This single photon induced optical pumping turns dominant dissipative processes,…

Quantum Physics · Physics 2016-06-01 Nils Trautmann , Gernot Alber

A quantum electrodynamical time-dependent density functional theory framework is applied to describe strongly coupled light--matter interactions in cavity environments. The formalism utilizes a tensor product approach, coupling real-space…

Chemical Physics · Physics 2025-11-27 Yetmgeta Aklilu , Matthew Shepherd , Cody L. Covington , Kalman Varga

Embedded density functional theory (e-DFT) is used to describe the electronic structure of strongly interacting molecular subsystems. We present a general implementation of the Exact Embedding (EE) method [J. Chem. Phys. 133, 084103 (2010)]…

Other Condensed Matter · Physics 2011-07-27 Jason D. Goodpaster , Taylor A. Barnes , Thomas F. Miller

Time-dependent (current) density functional theory for many-electron systems strongly coupled to quantized electromagnetic modes of a microcavity is proposed. It is shown that the electron-photon wave function is a unique functional of the…

Mesoscale and Nanoscale Physics · Physics 2013-12-10 I. V. Tokatly

We study the dynamics of a quantum dot embedded in a three-dimensional microcavity in the strong coupling regime in which the quantum dot exciton has an energy close to the frequency of a confined cavity mode. Under the continuous pumping…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 J. I. Perea , D. Porras , C. Tejedor

The concept of the effective one-electron potentials (OEP) has been useful for many decades in efficient description of electronic structure of chemical systems, especially extended molecular aggregates such as interacting molecules in…

Chemical Physics · Physics 2020-02-04 Bartosz Błasiak , Joanna D. Bednarska , Marta Chołuj , Wojciech Bartkowiak

We use a recently proposed quantum electrodynamical density functional theory (QEDFT) functional in a real-time excitation calculation for a two-dimensional electron gas in a square array of quantum dots in an external constant…

Mesoscale and Nanoscale Physics · Physics 2023-10-09 Vidar Gudmundsson , Vram Mughnetsyan , Nzar Rauf Abdullah , Chi-Shung Tang , Valeriu Moldoveanu , Andrei Manolescu

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 study quantum dynamics of many-qubit systems strongly coupled to a quantized electromagnetic cavity mode, in the presence of decoherence and dissipation for both fermions and cavity photons. The analytic solutions are derived for a broad…

Quantum Physics · Physics 2021-09-01 Mikhail Tokman , Qianfan Chen , Maria Erukhimova , Yongrui Wang , Alexey Belyanin

Effective field theory (EFT) methods are applied to density functional theory (DFT) as part of a program to systematically go beyond mean-field approaches to medium and heavy nuclei. A system of fermions with short-range, natural…

Nuclear Theory · Physics 2007-05-23 S. J. Puglia , A. Bhattacharyya , R. J. Furnstahl

We investigate spontaneous photon emission processes of two-level atoms in parabolic and ellipsoidal cavities thereby taking into account the full multimode scenario. In particular, we calculate the excitation probabilities of the atoms and…

Quantum Physics · Physics 2014-12-05 Gernot Alber , Nils Trautmann

Quantum embedding approaches involve the self-consistent optimization of a local fragment of a strongly correlated system, entangled with the wider environment. The `energy-weighted' density matrix embedding theory (EwDMET) was established…

Strongly Correlated Electrons · Physics 2021-02-23 P. V. Sriluckshmy , Max Nusspickel , Edoardo Fertitta , George H. Booth