Calculated Raman overtone intensities for H sub 2 and D sub 2

Journal Article · Wed May 01 04:00:00 EDT 1991 · Journal of Chemical Physics; (USA)

DOI:https://doi.org/10.1063/1.460446· OSTI ID:5716398

Bishop, D M; Pipin, J ^[1]

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1. Department of Chemistry, University of Ottawa, Ottawa, K1N 6N5 Canada (CA)

Dynamic dipole polarizabilities pertinent to the Raman intensities of the fundamental and first two overtones of H{sub 2} and D{sub 2} have been calculated. To do this an energy-shifted sum-over-states formula has been used in conjunction with accurate electron-correlated wave functions. The results for the relevant polarizability ratios agree, in the static limit, with a previous calculation. The dynamic values are in fair agreement with the recent experimental ones for H{sub 2} but there is a strong disagreement with a previous experimental determination for D{sub 2}.

• OSTI ID: 5716398
• Journal Information: Journal of Chemical Physics; (USA), Journal Name: Journal of Chemical Physics; (USA) Vol. 94:9; ISSN JCPSA; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
DEUTERIUM
ELECTRICAL PROPERTIES
ELEMENTS
HARMONICS
HYDROGEN
HYDROGEN ISOTOPES
ISOTOPES
LIGHT NUCLEI
NONMETALS
NUCLEI
ODD-ODD NUCLEI
OSCILLATIONS
PHYSICAL PROPERTIES
POLARIZABILITY
RAMAN SPECTRA
SPECTRA
STABLE ISOTOPES