Frequency-domain multiscale quantum mechanics/electromagnetics simulation method

Journal of Chemical Physics

Volumn 139, Issue 24, 2013, Pages

  Meng, Lingyi ^a   Yin, Zhenyu ^a   Yam, Chiyung ^a   Koo, Siukong ^a   Chen, Quan ^a   Wong, Ngai ^a   Chen, Guanhua ^a  

^a UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

CURRENT DISTRIBUTION; ELECTRONIC DEVICE; FOURIER TRANSFORMATIONS; FREQUENCY DOMAINS; INFORMATION EXCHANGES; MOLECULAR DEVICE; OPERATING FREQUENCY; POTENTIAL DISTRIBUTIONS;

BOUNDARY CONDITIONS; FOURIER TRANSFORMS; FREQUENCY DOMAIN ANALYSIS; QUANTUM THEORY;

TIME DOMAIN ANALYSIS;

EID: 84903362408     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4853635     Document Type: Article

References (38)

1. C. Yam, L. Meng, G. H. Chen, Q. Chen, and N. Wong, Phys. Chem. Chem. Phys. 13, 14365-14369 (2011). 10.1039/c1cp20766k
2. L. Meng, C. Yam, S. Koo, Q. Chen, N. Wong, and G. H. Chen, J. Chem. Theory Comput. 8, 1190-1199 (2012). 10.1021/ct200859h
3. C. Yam, J. Peng, Q. Chen, S. Markov, J. Z. Huang, N. Wong, W. C. Chew, and G. H. Chen, Appl. Phys. Lett. 103, 062109 (2013). 10.1063/1.4817911
4. P.-F. Wang, X. Lin, L. Liu, Q.-Q. Sun, P. Zhou, X.-Y. Liu, W. Liu, Y. Gong, and D. W. Zhang, Science 341, 640-643 (2013). 10.1126/science.1240961
5. J.-L. Brédas, J. E. Norton, J. Cornil, and V. Coropceanu, Acc. Chem. Res. 42, 1691-1699 (2009). 10.1021/ar900099h
6. L. Meng, Y. Shang, Q. Li, Y. Li, X. Zhan, Z. Shuai, R. G. E. Kimber, and A. B. Walker, J. Phys. Chem. B 114, 36-41 (2010). 10.1021/jp907167u
7. L. Meng, D. Wang, Q. Li, Y. Yi, J.-L. Bredas, and Z. Shuai, J. Chem. Phys. 134, 124102 (2011). 10.1063/1.3569130
8. Y. Shang, Q. Li, L. Meng, D. Wang, and Z. Shuai, Appl. Phys. Lett. 97, 143511 (2010). 10.1063/1.3494527
9. J. Li and C. T. Chan, Phys. Rev. B 72, 195103 (2005). 10.1103/PhysRevB.72.195103
10. L. Zhou, W. Wen, C. T. Chan, and P. Sheng, Phys. Rev. Lett. 94, 243905 (2005). 10.1103/PhysRevLett.94.243905
11. J. Zhang, Z. Yin, X. Zheng, C. Yam, and G. H. Chen, Eur. Phys. J. B 86, 423 (2013). 10.1140/epjb/e2013-40325-7
12. E. Runge and E. K. U. Gross, Phys. Rev. Lett. 52, 997-1000 (1984). 10.1103/PhysRevLett.52.997
13. X. Zheng, G. H. Chen, Y. Mo, S. Koo, H. Tian, C. Yam, and Y. Yan, J. Chem. Phys. 133, 114101 (2010). 10.1063/1.3475566
14. X. Zheng, F. Wang, C. Y. Yam, Y. Mo, and G. H. Chen, Phys. Rev. B 75, 195127 (2007). 10.1103/PhysRevB.75.195127
15. C. Yam, Y. Mo, F. Wang, X. Li, G. H. Chen, X. Zheng, Y. Matsuda, J. Tahir-Kheli, and W. A. Goddard III, Nanotechnology 19, 495203 (2008). 10.1088/0957-4484/19/49/495203
16. J. S. Ayubi-Moak, S. M. Goodnick, S. J. Aboud, M. Saraniti, and S. El-Ghazaly, J. Comput. Electron. 2, 183-190 (2003). 10.1023/B:JCEL.0000011422. 05617.f1
17. J. S. Ayubi-Moak, S. M. Goodnick, and M. Saraniti, J. Comput. Electron. 5, 415-418 (2006). 10.1007/s10825-006-0028-3
18. K. J. Willis, J. S. Ayubi-Moak, S. C. Hagness, and I. Knezevic, J. Comput. Electron. 8, 153-171 (2009). 10.1007/s10825-009-0280-4
19. K. J. Willis, S. C. Hagness, and I. Knezevic, Appl. Phys. Lett. 96, 062106 (2010). 10.1063/1.3308491
20. R. O. Grondin, S. M. El-Ghazaly, and S. Goodnick, IEEE Trans. Microwave Theory Tech. 47, 817-829 (1999). 10.1109/22.769315
21. R. Eymard, T. Gallouet, and R. Herbin, " Finite volume methods.," in Handbook of Numerical Analysis (Elsevier, Holland, 2000).
22. P. Meuris, W. Schoenmaker, and W. Magnus, IEEE Trans. Comput.-Aided Des. 20, 753-762 (2001). 10.1109/43.924828
23. W. Schoenmaker and P. Meuris, IEEE Trans. Comput.-Aided Des. 21, 534-543 (2002). 10.1109/43.998625
24. Magwel, see http://www.magwel.com/ for more details about the commercial software MAGWEL.
25. W. C. Chew, M. S. Tong, and B. Hu, Integral Equation Methods for Electromagnetic and Elastic Waves (Morgan Claypool, 2009).
26. D. J. Griggiths, Introduction to Electrodynamics (Prentice-Hall, New Jersey, 1999).
27. A. Taflove and S. C. Hagness, Computational Electrodynamics: The Finite-Difference Time-Domain Method, 3rd ed. (Artech House, 2005).
28. J. Yuen-Zhou, D. G. Tempel, C. A. Rodríguez-Rosario, and A. Aspuru-Guzik, Phys. Rev. Lett. 104, 043001 (2010). 10.1103/PhysRevLett.104. 043001
29. B. Wang, Y. Xing, L. Zhang, and J. Wang, Phys. Rev. B 81, 121103 (2010). 10.1103/PhysRevB.81.121103
30. M. Di-Ventra and R. D'Agosta, Phys. Rev. Lett. 98, 226403 (2007). 10.1103/PhysRevLett.98.226403
31. H. Xie, F. Jiang, H. Tian, X. Zheng, Y. Kwok, S. Chen, C. Yam, Y. Yan, and G. H. Chen, J. Chem. Phys. 137, 044113 (2012). 10.1063/1.4737864
32. L. P. Kadanoff and G. Baym, Quantum Statistical Mechanics: Green's Function Methods in Equilibrium and Nonequilibrium Problems (Addison-Wesley, 1989).
33. Y. Mo, X. Zheng, G. H. Chen, and Y. Yan, J. Phys.: Condens. Matter 21, 355301 (2009). 10.1088/0953-8984/21/35/355301
34. M. P. Anantram and S. Datta, Phys. Rev. B 51, 7632-7639 (1995). 10.1103/PhysRevB.51.7632
35. B. Wang, J. Wang, and H. Guo, Phys. Rev. Lett. 82, 398-401 (1999). 10.1103/PhysRevLett.82.398
36. Y. Wei and J. Wang, Phys. Rev. B 79, 195315 (2009). 10.1103/PhysRevB.79. 195315
37. C. G. Broyden, Math. Comput. 19, 577-593 (1965). 10.1090/S0025-5718-1965- 0198670-6
38. M. Elstner, D. Porezag, G. Jungnickel, J. Elsner, M. Haugk, T. Frauenheim, S. Suhai, and G. Seifert, Phys. Rev. B 58, 7260-7268 (1998). 10.1103/PhysRevB.58.7260