By a News Reporter-Staff News Editor at Physics Week -- Researchers detail new data in Chemical Physics. According to news originating from Hong Kong, People's Republic of China, by VerticalNews correspondents, research stated, "A frequency-domain quantum mechanics and electromagnetics (QM/EM) method is developed. Compared with the time-domain QM/EM method [Meng et al., J. Chem. Theory Comput. 8, 1190-1199 (2012)], the newly developed frequency-domain QM/EM method could effectively capture the dynamic properties of electronic devices over a broader range of operating frequencies."
Our news journalists obtained a quote from the research from the University of Hong Kong, "The system is divided into QM and EM regions and solved in a self-consistent manner via updating the boundary conditions at the QM and EM interface. The calculated potential distributions and current densities at the interface are taken as the boundary conditions for the QM and EM calculations, respectively, which facilitate the information exchange between the QM and EM calculations and ensure that the potential, charge, and current distributions are continuous across the QM/EM interface."
According to the news editors, the research concluded: "Via Fourier transformation, the dynamic admittance calculated from the time-domain and frequency-domain QM/EM methods is compared for a carbon nanotube based molecular device."
For more information on this research see: Frequency-domain multiscale quantum mechanics/electromagnetics simulation method. Journal of Chemical Physics, 2013;139(24):143-148. Journal of Chemical Physics can be contacted at: Amer Inst Physics, Circulation & Fulfillment Div, 2 Huntington Quadrangle, Ste 1 N O 1, Melville, NY 11747-4501, USA. (American Institute of Physics - www.aip.org/; Journal of Chemical Physics - jcp.aip.org/)
The news correspondents report that additional information may be obtained from L.Y. Meng, University of Hong Kong, Dept. of Elect & Elect Engn, Hong Kong, Hong Kong, People's Republic of China. Additional authors for this research include Z.Y. Yin, C. Yam, S. Koo, Q. Chen, N. Wong and G.H. Chen.
Keywords for this news article include: Asia, Hong Kong, Quantum Physics, Chemical Physics, Quantum Mechanics, People's Republic of China
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