Bulletin of the American Physical Society
APS March Meeting 2019
Volume 64, Number 2
Monday–Friday, March 4–8, 2019; Boston, Massachusetts
Session S31: Wavefunction Methods (ES3)
11:15 AM–2:03 PM,
Thursday, March 7, 2019
BCEC
Room: 203
Sponsoring
Unit:
DCP
Chair: James Shepherd
Abstract: S31.00007 : Quasiparticle spectra of polyacetylene using coupled-cluster singles and doubles (CCSD)*
1:15 PM–1:27 PM
Presenter:
Taichi Kosugi
(University of Tokyo)
Authors:
Taichi Kosugi
(University of Tokyo)
Yu-ichiro Matsushita
(Tokyo Institute of Technology)
Those to periodic systems, however, suffer from large computational cost for k point sampling.
We developed interpolation techniques for reducing the cost for obtaining reliable GFs.
We apply them to polyacetylene and examine their validity by comparing the original spectral function and the interpolated ones.
[1] Y. Furukawa, T. Kosugi, H. Nishi, and Y. Matsushita, J. Chem. Phys. 148, 204109 (2018)
[2] T. Kosugi, H. Nishi, Y. Furukawa, and Y. Matsushita, J. Chem. Phys. 148, 224103 (2018)
[3] H. Nishi, T. Kosugi, Y. Furukawa, and Y. Matsushita, J. Chem. Phys. 149, 034106 (2018)
*This research was supported by MEXT as “Exploratory Challenge on Post-K computer” (Frontiers of Basic Science: Challenging the Limits).
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