期刊
JOURNAL OF CHEMICAL PHYSICS
卷 136, 期 4, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3676405
关键词
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资金
- National Science Foundation (NSF) [AST0709106, AST0708496]
- Center for Complex Quantum Systems, University of Texas
Quantum chemical methods have been used elsewhere to obtain the potential energy surface (PES) and the induced dipole surface (IDS) of H-2-He collisional complexes at eight different H-H bond distances, fifteen atom-molecule separations, and 19 angular orientations each [X. Li, A. Mandal, E. Miliordos, and K. L. C. Hunt, J. Chem. Phys. 136, 044320 (2012)]. An atom-molecule state-to-state scattering formalism is employed, which couples the collisional molecular complex to the electromagnetic radiation field. In this way, we obtain theoretical collision-induced absorption (CIA) spectra of H-2-He complexes for frequencies from 0 to 20 000 cm(-1) and temperatures up to 9000 K. The work is based on the fundamental theory and is motivated by current research of certain astronomical objects, such as cool white dwarf stars, cool main sequence stars, M dwarfs, exoplanets, so-called first stars. We compare our theoretical results to existing laboratory measurements of CIA spectra; very close agreement of theory and measurement is observed. We also discuss similar previous theoretical efforts. (C) 2012 American Institute of Physics. [doi:10.1063/1.3676405]
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