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VERSION:2.0
PRODID:IEEE vTools.Events//EN
CALSCALE:GREGORIAN
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TZID:Asia/Shanghai
BEGIN:STANDARD
DTSTART:19910915T010000
TZOFFSETFROM:+0900
TZOFFSETTO:+0800
TZNAME:CST
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BEGIN:VEVENT
DTSTAMP:20221024T045953Z
UID:52AAFD71-93DD-48AF-9131-5781A5D90329
DTSTART;TZID=Asia/Shanghai:20221023T190000
DTEND;TZID=Asia/Shanghai:20221023T210000
DESCRIPTION:Abstract\n\nDensity Functional Theory (DFT) is a common method 
 for quantum calculations that offers a good balance between accuracy and c
 omputational cost. An important challenge in both ground state and excited
  state DFT is the calculation of electrostatic and electrodynamic induced 
 potentials\, as well as the Fock exchange interaction. For the ground stat
 e\, we present an accurate scalar Green’s function kernels to efficientl
 y evaluate the Hartree and Fock potentials using a Fast Fourier Transform 
 (FFT) method to solve the Poisson equation. We demonstrate the efficiency 
 of this method\, using hybrid and screened hybrid DFT\, to study the prope
 rties of silicon quantum dots comprising over a thousand atoms (3 nm diame
 ter). In the excited state\, electrodynamic fields are formally incorporat
 ed within time dependent Density Functional Theory (TDDFT) by considering 
 both induced scalar and vector potentials. The Hamiltonian is described in
  both the Coulomb and Lorenz gauges\, and the advantages of the latter are
  outlined. Integral expressions are defined for the retarded potentials of
  each gauge and a methodological approach to evaluating these nontrivial e
 xpressions with a low computational cost is adopted. The faster potential 
 calculations enables the study of larger systems\, such as nanoscale anten
 nas.\n\nSpeaker(s): Amir Boag\, \n\nVirtual: https://events.vtools.ieee.or
 g/m/328565
LOCATION:Virtual: https://events.vtools.ieee.org/m/328565
ORGANIZER:mstong@tongji.edu.cn
SEQUENCE:3
SUMMARY:Modeling Electromagnetic Phenomena in Large Quantum Systems
URL;VALUE=URI:https://events.vtools.ieee.org/m/328565
X-ALT-DESC:Description: <br /><p><strong>Abstract</strong></p>\n<p>Density 
 Functional Theory (DFT) is a common method for quantum calculations that o
 ffers a good balance between accuracy and computational cost. An important
  challenge in both ground state and excited state DFT is the calculation o
 f electrostatic and electrodynamic induced potentials\, as well as the Foc
 k exchange interaction. For the ground state\, we present an accurate scal
 ar Green&rsquo\;s function kernels to efficiently evaluate the Hartree and
  Fock potentials using a Fast Fourier Transform (FFT) method to solve the 
 Poisson equation. We demonstrate the efficiency of this method\, using hyb
 rid and screened hybrid DFT\, to study the properties of silicon quantum d
 ots comprising over a thousand atoms (3 nm diameter). In the excited state
 \, electrodynamic fields are formally incorporated within time dependent D
 ensity Functional Theory (TDDFT) by considering both induced scalar and ve
 ctor potentials. The Hamiltonian is described in both the Coulomb and Lore
 nz gauges\, and the advantages of the latter are outlined. Integral expres
 sions are defined for the retarded potentials of each gauge and a methodol
 ogical approach to evaluating these nontrivial expressions with a low comp
 utational cost is adopted. The faster potential calculations enables the s
 tudy of larger systems\, such as nanoscale antennas.</p>
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