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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

Applying time-dependent local density approximation (TDLDA), we study the high-order harmonic generation (HHG) of ethylene subjected to the one-color ($\omega=2.72$ eV) and the two-color ($\omega_1=2.72$ eV and $\omega_2=5.44$ eV)…

Atomic and Molecular Clusters · Physics 2009-03-31 Z. P. Wang , P. M. Dinh , P. -G. Reinhard , E. Suraud , F. S. Zhang

Precise understanding of the dynamics of trapped particles is crucial for nascent quantum technologies, including atomic clocks and quantum simulators. Here we present a framework to systematically include quantum effects arising from the…

Quantum Physics · Physics 2019-06-11 Rebecca Haustein , Gerard J. Milburn , Magdalena Zych

Recent work has revealed that entanglement entropy growth in conformal field theories (CFTs) can be suppressed when a local operator quench interacts with a mixed-state excitation, providing a dual interpretation in terms of black hole…

Quantum Physics · Physics 2025-10-21 Davood Momeni

The real-time electronic dynamics on material surfaces is critically important to a variety of applications. However, their simulations have remained challenging for conventional methods such as the time-dependent density-functional theory…

Chemical Physics · Physics 2015-06-16 Rulin Wang , Dong Hou , Xiao Zheng

The advent of the Hohenberg-Kohn theorem in 1964, its extension to finite-T, Kohn-Sham theory, and relativistic extensions provide the well-established formalism of density-functional theory (DFT). This theory enables the calculation of all…

Quantum Physics · Physics 2013-07-18 M. W. C. Dharma-wardana

The high-frequency conductivity of Si delta-doped GaAs/AlGaAs heterostructures is studied in the integer quantum Hall effect (QHE) regime, using acoustic methods. Both the real and the imaginary parts of the complex conductivity are…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 I. L. Drichko , A. M. Diakonov , I. Yu. Smirnov , Y. M. Galperin , A. I. Toropov

In this contribution, we extend our framework for analyzing and visualizing correlated many-electron dynamics to non-variational, highly scalable electronic structure method. Specifically, an explicitly time-dependent electronic wave packet…

Chemical Physics · Physics 2017-04-27 Gunter Hermann , Vincent Pohl , Jean Christophe Tremblay

Using dynamical Hartree-Fock mean-field theory, we study the high-harmonic generation (HHG) in the fullerene molecules C$_{60}$ and C$_{70}$ under strong pump wave driving. We consider a strong-field regime and show that the output harmonic…

Atomic Physics · Physics 2021-10-04 H. K. Avetissian , A. G. Ghazaryan , G. F. Mkrtchian

We investigate high-order harmonic generation (HHG) in graphene with a quantum master equation approach. The simulations reproduce the observed enhancement in HHG in graphene under elliptically polarized light [N. Yoshikawa et al, Science…

Materials Science · Physics 2021-02-03 Shunsuke A. Sato , Hideki Hirori , Yasuyuki Sanari , Yoshihiko Kanemitsu , Angel Rubio

High harmonic generation(HHG) is one of the most commonly studied nonlinear optical phenomena, originating in the ultrafast dynamics of electrons in atomic gasses and semiconductors. It has attracted much attention because of its…

Optics · Physics 2023-09-08 Akira Kofuji , Robert Peters

Solids in an intense laser field show high-harmonic generation (HHG), which can provide information on carrier dynamics and band structures in weakly correlated systems. In strongly correlated systems, a laser field can induce a transition…

Strongly Correlated Electrons · Physics 2025-08-04 Ryohei Ikeda , Yuta Murakami , Daiki Sakai , Tatsuya Miyamoto , Toshimitsu Ito , Hiroshi Okamoto

We theoretically investigated the dependence of higher-order harmonic generation (HHG) in solid-state materials on the ellipticity of the electric field. We found that in the multiphoton absorption and ac Zener regimes, the intensity of HHG…

Materials Science · Physics 2016-12-28 T. Tamaya , A. Ishikawa , T. Ogawa , K. Tanaka

Aspects of Density Functional Resonance Theory (DFRT) [Phys. Rev. Lett. \textbf{107}, 163002 (2011)], a recently developed complex-scaled version of ground-state Density Functional Theory (DFT), are studied in detail. The asymptotic…

Quantum Physics · Physics 2015-06-04 Daniel L. Whitenack , Adam Wasserman

It has been known that the time-dependent Hartree-Fock (TDHF) method, or the time-dependent density functional theory (TDDFT), fails to describe many-body quantum tunneling. We overcome this problem by superposing a few time-dependent…

Nuclear Theory · Physics 2020-06-15 N. Hasegawa , K. Hagino , Y. Tanimura

The multiphoton excitation and high harmonic generation (HHG) processes are considered using the microscopic quantum theory of nonlinear interaction of strong coherent electromagnetic (EM) radiation with rectangular graphene quantum dot…

Mesoscale and Nanoscale Physics · Physics 2023-04-26 A G Ghazaryan , Kh V Sedrakian

We investigate the description of excitonic effects within time-dependent density-functional theory (TDDFT). The exchange-correlation kernel f_xc introduced in TDDFT allows a clear separation of quasiparticle and excitonic effects. Using a…

Other Condensed Matter · Physics 2007-05-23 R. Stubner , I. V. Tokatly , O. Pankratov

The quantum interference and orbital filling effects on the thermoelectric (TE) properties of quantum dot molecules with high figure of merit are illustrated via the full solution to the Hubbard- Anderson model in the Coulomb blockade…

Mesoscale and Nanoscale Physics · Physics 2015-07-02 Chih-Chieh Chen , David M T Kuo , Yia Chung Chang

We propose a mechanism for the quenching of the Shubnikov de Haas oscillations and the quantum Hall effect observed in epitaxial graphene. Experimental data show that the scattering time of the conduction electron is magnetic field…

Mesoscale and Nanoscale Physics · Physics 2008-05-13 Pierre Darancet , Nicolas Wipf , Claire Berger , Walt de Heer , Didier Mayou

We propose a machine learning based approach to develop the exchange-correlation potential of time dependent density functional theory (TDDFT). The neural network projection from the time-varying electron densities to the corresponding…

Computational Physics · Physics 2020-05-20 Yasumitsu Suzuki , Ryo Nagai , Jun Haruyama