Resonance structure of molecular clusters of B-HMX for THz frequencies

L. Huang; A. Shabaev; S. G. Lambrakos; L. Massa

doi:10.1117/12.918663

9 May 2012 Resonance structure of molecular clusters of β-HMX for THz frequencies

L. Huang, A. Shabaev, S. G. Lambrakos, L. Massa

Proceedings Volume 8363, Terahertz Physics, Devices, and Systems VI: Advanced Applications in Industry and Defense; 836304 (2012) https://doi.org/10.1117/12.918663
Event: SPIE Defense, Security, and Sensing, 2012, Baltimore, Maryland, United States

Abstract

Calculations are presented of ground state resonance structure associated with molecular clusters of β-HMX using density functional theory (DFT), which is for analysis using a model representation of the coupling between resonance modes for ground state excitation. With respect to qualitative analysis, this model representation of the coupling among resonance modes provides a reasonable molecular level interpretation of various features of the excitation spectra associated with the ground state of molecular clusters. The DFT software GAUSSIAN was used for the calculations of ground state resonance structure presented.

Citation Download Citation

L. Huang, A. Shabaev, S. G. Lambrakos, and L. Massa "Resonance structure of molecular clusters of β-HMX for THz frequencies", Proc. SPIE 8363, Terahertz Physics, Devices, and Systems VI: Advanced Applications in Industry and Defense, 836304 (9 May 2012); https://doi.org/10.1117/12.918663

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