The Experts below are selected from a list of 29136 Experts worldwide ranked by ideXlab platform
Angel Rubio - One of the best experts on this subject based on the ideXlab platform.
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ab initio optimized effective potentials for Real Molecules in optical cavities photon contributions to the molecular ground state
ACS Photonics, 2018Co-Authors: Johannes Flick, Christian Schafer, Michael Ruggenthaler, Heiko Appel, Angel RubioAbstract:We introduce a simple scheme to efficiently compute photon exchange-correlation contributions due to the coupling to transversal photons as formulated in the newly developed quantum-electrodynamical density-functional theory (QEDFT).(1−5) Our construction employs the optimized-effective potential (OEP) approach by means of the Sternheimer equation to avoid the explicit calculation of unoccupied states. We demonstrate the efficiency of the scheme by applying it to an exactly solvable GaAs quantum ring model system, a single azulene Molecule, and chains of sodium dimers, all located in optical cavities and described in full Real space. While the first example is a two-dimensional system and allows to benchmark the employed approximations, the latter two examples demonstrate that the correlated electron-photon interaction appreciably distorts the ground-state electronic structure of a Real Molecule. By using this scheme, we not only construct typical electronic observables, such as the electronic ground-stat...
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ab initio optimized effective potentials for Real Molecules in optical cavities photon contributions to the molecular ground state
arXiv: Quantum Physics, 2017Co-Authors: Johannes Flick, Christian Schafer, Michael Ruggenthaler, Heiko Appel, Angel RubioAbstract:We introduce a simple scheme to efficiently compute photon exchange-correlation contributions due to the coupling to transversal photons as formulated in the newly developed quantum-electrodynamical density functional theory (QEDFT). Our construction employs the optimized-effective potential (OEP) approach by means of the Sternheimer equation to avoid the explicit calculation of unoccupied states. We demonstrate the efficiency of the scheme by applying it to an exactly solvable GaAs quantum ring model system, a single azulene Molecule, and chains of sodium dimers, all located in optical cavities and described in full Real space. While the first example is a two-dimensional system and allows to benchmark the employed approximations, the latter two examples demonstrate that the correlated electron-photon interaction appreciably distorts the ground-state electronic structure of a Real Molecule. By using this scheme, we not only construct typical electronic observables, such as the electronic ground-state density, but also illustrate how photon observables, such as the photon number, and mixed electron-photon observables, e.g. electron-photon correlation functions, become accessible in a DFT framework. This work constitutes the first three-dimensional ab-initio calculation within the new QEDFT formalism and thus opens up a new computational route for the ab-initio study of correlated electron-photon systems in quantum cavities.
Keiichi Yokoyama - One of the best experts on this subject based on the ideXlab platform.
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numerical study on quantum walks implemented on cascade rotational transitions in a diatomic Molecule
Journal of the Korean Physical Society, 2011Co-Authors: Leo Matsuoka, Tatsuya Kasajima, Masashi Hashimoto, Keiichi YokoyamaAbstract:We propose an implementation scheme for the continuous-time quantum walk using a diatomic Molecule and an optical frequency comb. We show an analogy between the quantum walk and the cascade rotational transitions induced by the optical frequency comb whose frequency peaks are tuned to the pure rotational transitions in the Molecule. A strategy to compensate for the centrifugal distortion of the Real Molecule is also demonstrated.
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numerical study on quantum walks implemented on the cascade rotational transitions in a diatomic Molecule
arXiv: Quantum Physics, 2011Co-Authors: Leo Matsuoka, Tatsuya Kasajima, Masashi Hashimoto, Keiichi YokoyamaAbstract:We propose an implementation scheme for the continuous-time quantum walk using a diatomic Molecule and an optical frequency comb. We show an analogy between the quantum walk and the cascade rotational transitions induced by the optical frequency comb whose frequency peaks are tuned to the pure rotational transitions in the Molecule. The strategy to compensate for the centrifugal distortion of the Real Molecule is also demonstrated.
Johannes Flick - One of the best experts on this subject based on the ideXlab platform.
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ab initio optimized effective potentials for Real Molecules in optical cavities photon contributions to the molecular ground state
ACS Photonics, 2018Co-Authors: Johannes Flick, Christian Schafer, Michael Ruggenthaler, Heiko Appel, Angel RubioAbstract:We introduce a simple scheme to efficiently compute photon exchange-correlation contributions due to the coupling to transversal photons as formulated in the newly developed quantum-electrodynamical density-functional theory (QEDFT).(1−5) Our construction employs the optimized-effective potential (OEP) approach by means of the Sternheimer equation to avoid the explicit calculation of unoccupied states. We demonstrate the efficiency of the scheme by applying it to an exactly solvable GaAs quantum ring model system, a single azulene Molecule, and chains of sodium dimers, all located in optical cavities and described in full Real space. While the first example is a two-dimensional system and allows to benchmark the employed approximations, the latter two examples demonstrate that the correlated electron-photon interaction appreciably distorts the ground-state electronic structure of a Real Molecule. By using this scheme, we not only construct typical electronic observables, such as the electronic ground-stat...
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ab initio optimized effective potentials for Real Molecules in optical cavities photon contributions to the molecular ground state
arXiv: Quantum Physics, 2017Co-Authors: Johannes Flick, Christian Schafer, Michael Ruggenthaler, Heiko Appel, Angel RubioAbstract:We introduce a simple scheme to efficiently compute photon exchange-correlation contributions due to the coupling to transversal photons as formulated in the newly developed quantum-electrodynamical density functional theory (QEDFT). Our construction employs the optimized-effective potential (OEP) approach by means of the Sternheimer equation to avoid the explicit calculation of unoccupied states. We demonstrate the efficiency of the scheme by applying it to an exactly solvable GaAs quantum ring model system, a single azulene Molecule, and chains of sodium dimers, all located in optical cavities and described in full Real space. While the first example is a two-dimensional system and allows to benchmark the employed approximations, the latter two examples demonstrate that the correlated electron-photon interaction appreciably distorts the ground-state electronic structure of a Real Molecule. By using this scheme, we not only construct typical electronic observables, such as the electronic ground-state density, but also illustrate how photon observables, such as the photon number, and mixed electron-photon observables, e.g. electron-photon correlation functions, become accessible in a DFT framework. This work constitutes the first three-dimensional ab-initio calculation within the new QEDFT formalism and thus opens up a new computational route for the ab-initio study of correlated electron-photon systems in quantum cavities.
Leo Matsuoka - One of the best experts on this subject based on the ideXlab platform.
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numerical study on quantum walks implemented on cascade rotational transitions in a diatomic Molecule
Journal of the Korean Physical Society, 2011Co-Authors: Leo Matsuoka, Tatsuya Kasajima, Masashi Hashimoto, Keiichi YokoyamaAbstract:We propose an implementation scheme for the continuous-time quantum walk using a diatomic Molecule and an optical frequency comb. We show an analogy between the quantum walk and the cascade rotational transitions induced by the optical frequency comb whose frequency peaks are tuned to the pure rotational transitions in the Molecule. A strategy to compensate for the centrifugal distortion of the Real Molecule is also demonstrated.
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numerical study on quantum walks implemented on the cascade rotational transitions in a diatomic Molecule
arXiv: Quantum Physics, 2011Co-Authors: Leo Matsuoka, Tatsuya Kasajima, Masashi Hashimoto, Keiichi YokoyamaAbstract:We propose an implementation scheme for the continuous-time quantum walk using a diatomic Molecule and an optical frequency comb. We show an analogy between the quantum walk and the cascade rotational transitions induced by the optical frequency comb whose frequency peaks are tuned to the pure rotational transitions in the Molecule. The strategy to compensate for the centrifugal distortion of the Real Molecule is also demonstrated.
Christian Schafer - One of the best experts on this subject based on the ideXlab platform.
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ab initio optimized effective potentials for Real Molecules in optical cavities photon contributions to the molecular ground state
ACS Photonics, 2018Co-Authors: Johannes Flick, Christian Schafer, Michael Ruggenthaler, Heiko Appel, Angel RubioAbstract:We introduce a simple scheme to efficiently compute photon exchange-correlation contributions due to the coupling to transversal photons as formulated in the newly developed quantum-electrodynamical density-functional theory (QEDFT).(1−5) Our construction employs the optimized-effective potential (OEP) approach by means of the Sternheimer equation to avoid the explicit calculation of unoccupied states. We demonstrate the efficiency of the scheme by applying it to an exactly solvable GaAs quantum ring model system, a single azulene Molecule, and chains of sodium dimers, all located in optical cavities and described in full Real space. While the first example is a two-dimensional system and allows to benchmark the employed approximations, the latter two examples demonstrate that the correlated electron-photon interaction appreciably distorts the ground-state electronic structure of a Real Molecule. By using this scheme, we not only construct typical electronic observables, such as the electronic ground-stat...
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ab initio optimized effective potentials for Real Molecules in optical cavities photon contributions to the molecular ground state
arXiv: Quantum Physics, 2017Co-Authors: Johannes Flick, Christian Schafer, Michael Ruggenthaler, Heiko Appel, Angel RubioAbstract:We introduce a simple scheme to efficiently compute photon exchange-correlation contributions due to the coupling to transversal photons as formulated in the newly developed quantum-electrodynamical density functional theory (QEDFT). Our construction employs the optimized-effective potential (OEP) approach by means of the Sternheimer equation to avoid the explicit calculation of unoccupied states. We demonstrate the efficiency of the scheme by applying it to an exactly solvable GaAs quantum ring model system, a single azulene Molecule, and chains of sodium dimers, all located in optical cavities and described in full Real space. While the first example is a two-dimensional system and allows to benchmark the employed approximations, the latter two examples demonstrate that the correlated electron-photon interaction appreciably distorts the ground-state electronic structure of a Real Molecule. By using this scheme, we not only construct typical electronic observables, such as the electronic ground-state density, but also illustrate how photon observables, such as the photon number, and mixed electron-photon observables, e.g. electron-photon correlation functions, become accessible in a DFT framework. This work constitutes the first three-dimensional ab-initio calculation within the new QEDFT formalism and thus opens up a new computational route for the ab-initio study of correlated electron-photon systems in quantum cavities.
