Kohn–Sham Decomposition in Real-Time Time-Dependent Density-Functional Theory: An Efficient Tool for Analyzing Plasmonic Excitations

作者: Tuomas P. Rossi , Mikael Kuisma , Martti J. Puska , Risto M. Nieminen , Paul Erhart

DOI: 10.1021/ACS.JCTC.7B00589

关键词:

摘要: … While such a decomposition is readily available in the linear-response time-dependent density-functional theory (TDDFT) approaches based on the Casida equations, a comparable …

参考文章(131)
M. Manninen, M. J. Puska, R. M. Nieminen, Electronic polarizability of small metal spheres. Physical Review B. ,vol. 31, pp. 3486- 3495 ,(1985) , 10.1103/PHYSREVB.31.3486
Kirsten Andersen, Kristian S Thygesen, None, Plasmons in metallic monolayer and bilayer transition metal dichalcogenides Physical Review B. ,vol. 88, pp. 155128- ,(2013) , 10.1103/PHYSREVB.88.155128
M. Kuisma, J. Ojanen, J. Enkovaara, T. T. Rantala, Kohn-Sham potential with discontinuity for band gap materials Physical Review B. ,vol. 82, pp. 115106- ,(2010) , 10.1103/PHYSREVB.82.115106
Jun Yan, Karsten W Jacobsen, Kristian S Thygesen, None, Conventional and acoustic surface plasmons on noble metal surfaces: a time-dependent density functional theory study Physical Review B. ,vol. 86, pp. 241404- ,(2012) , 10.1103/PHYSREVB.86.241404
C. Yannouleas, R. A. Broglia, M. Brack, P. F. Bortignon, Fragmentation of the photoabsorption strength in neutral and charged metal microclusters Physical Review Letters. ,vol. 63, pp. 255- 258 ,(1989) , 10.1103/PHYSREVLETT.63.255
Feizhi Ding, Emilie B. Guidez, Christine M. Aikens, Xiaosong Li, Quantum coherent plasmon in silver nanowires: a real-time TDDFT study. Journal of Chemical Physics. ,vol. 140, pp. 244705- ,(2014) , 10.1063/1.4884388
P. G. Wilkinson, ABSORPTION SPECTRA OF BENZENE AND BENZENE-d6 IN THE VACUUM ULTRAVIOLET Canadian Journal of Physics. ,vol. 34, pp. 596- 615 ,(1956) , 10.1139/P56-067
Emilie B. Guidez, Christine M. Aikens, Theoretical analysis of the optical excitation spectra of silver and gold nanowires Nanoscale. ,vol. 4, pp. 4190- 4198 ,(2012) , 10.1039/C2NR30253E