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Quantum electrodynamical density functional theory: First principle approach to cavity QED
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Theoretical Seminar at The Department of Physics & Engineering, ITMO | 21 Oct 2020
Timecodes are below the abstract.
Prof. Ilya Tokatly,
University of the Basque Country, San Sebastian, Spain; Ikerbasque, Basque Foundation for Science, Bilbao, Spain; Donostia International Physics Center, San Sebastian, Spain
Title: "Quantum electrodynamical density functional theory: First principle approach to cavity QED"
Abstract: In this talk I present Quantum Electrodynamical (Time Dependent) Density Functional Theory (QED-DFT) – a recently proposed ab initio approach to the theory of atomic, molecular, and condensed matter systems strongly interacting with quantum electromagnetic field. I start from a general physical picture and a formal statement of the many-body problem for non-relativistic electrons strongly coupled to photon modes of a microcavity. Then I discuss basic QED-DFT mapping theorems and possible approximation strategies. In particular I will introduce generalization of the concept of optimized effective potential that makes a connection of QED-DFT to the many-body perturbation theory. Finally, I will discuss first test applications of this approach and its connection to the theory of quantum dissipative systems.
00:00:00 Intro
00:00:38 Start of the seminar
00:02:19 Outline,
00:03:33 Motivation. Cavity and circuit QED: Beginning of the story
00:04:38 Motivation. Cavity QED: new generation of quantum circuits, Question by Maxim Gorlach
00:05:39 Cavity QED: "Chemistry-in-cavity"
00:07:51 "Classical" TDDFT: A quick overview
00:08:02 Quantum many-electron problem
00:09:44 TDDFT: A unique "inverse" map
00:13:02 Setting up the mathematical problem in cavity QED
00:13:14 Getting started: Classical dipole in classical cavity
00:15:53 Classical cavity (II): the Hamiltonian structure
00:19:21 Question by Maxim Gorlach
00:22:02 Quantum many-electron system in quantum cavity
00:27:31 Electron-photon TDDFT (QEDFT)
00:30:34 Question by Valerii Kozin
00:35:04 The problem of approximations for xc potential
00:43:33 Electron-photon Optimized Effective Potential (OEP)
00:44:33 Simple test: 2-site "molecule" coupled to a single mode
00:49:38 Realistic example: Azulene molecule in a cavity
00:52:06 Implications for the theory of open quantum systems
00:52:18 Connection to the theory of open quantum systems
00:54:09 TDDFT for open quantum systems
00:55:11 Question by Ivan Iorsh
01:00:37 Summary
The Department of Physics and Engineering of ITMO University (Saint Petersburg, Russia) hosts online weekly seminars to discuss recent scientific achievements of researchers from all over the world with a wide audience. The topics include experimental (Optical seminar) and theoretical (Theoretical seminar) aspects of nanophotonics, solid-state physics, material science, as well as design and applications of radiofrequency structures and devices (Microwave seminar).
#TheoreticalSeminar #ITMO #новыйфизтех #scientificseminar
Timecodes are below the abstract.
Prof. Ilya Tokatly,
University of the Basque Country, San Sebastian, Spain; Ikerbasque, Basque Foundation for Science, Bilbao, Spain; Donostia International Physics Center, San Sebastian, Spain
Title: "Quantum electrodynamical density functional theory: First principle approach to cavity QED"
Abstract: In this talk I present Quantum Electrodynamical (Time Dependent) Density Functional Theory (QED-DFT) – a recently proposed ab initio approach to the theory of atomic, molecular, and condensed matter systems strongly interacting with quantum electromagnetic field. I start from a general physical picture and a formal statement of the many-body problem for non-relativistic electrons strongly coupled to photon modes of a microcavity. Then I discuss basic QED-DFT mapping theorems and possible approximation strategies. In particular I will introduce generalization of the concept of optimized effective potential that makes a connection of QED-DFT to the many-body perturbation theory. Finally, I will discuss first test applications of this approach and its connection to the theory of quantum dissipative systems.
00:00:00 Intro
00:00:38 Start of the seminar
00:02:19 Outline,
00:03:33 Motivation. Cavity and circuit QED: Beginning of the story
00:04:38 Motivation. Cavity QED: new generation of quantum circuits, Question by Maxim Gorlach
00:05:39 Cavity QED: "Chemistry-in-cavity"
00:07:51 "Classical" TDDFT: A quick overview
00:08:02 Quantum many-electron problem
00:09:44 TDDFT: A unique "inverse" map
00:13:02 Setting up the mathematical problem in cavity QED
00:13:14 Getting started: Classical dipole in classical cavity
00:15:53 Classical cavity (II): the Hamiltonian structure
00:19:21 Question by Maxim Gorlach
00:22:02 Quantum many-electron system in quantum cavity
00:27:31 Electron-photon TDDFT (QEDFT)
00:30:34 Question by Valerii Kozin
00:35:04 The problem of approximations for xc potential
00:43:33 Electron-photon Optimized Effective Potential (OEP)
00:44:33 Simple test: 2-site "molecule" coupled to a single mode
00:49:38 Realistic example: Azulene molecule in a cavity
00:52:06 Implications for the theory of open quantum systems
00:52:18 Connection to the theory of open quantum systems
00:54:09 TDDFT for open quantum systems
00:55:11 Question by Ivan Iorsh
01:00:37 Summary
The Department of Physics and Engineering of ITMO University (Saint Petersburg, Russia) hosts online weekly seminars to discuss recent scientific achievements of researchers from all over the world with a wide audience. The topics include experimental (Optical seminar) and theoretical (Theoretical seminar) aspects of nanophotonics, solid-state physics, material science, as well as design and applications of radiofrequency structures and devices (Microwave seminar).
#TheoreticalSeminar #ITMO #новыйфизтех #scientificseminar
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