Collision-induced rototranslational spectra of H/sub 2/-He from an accurate ab initio dipole moment surface

Journal Article · Wed Oct 01 04:00:00 EDT 1986 · Phys. Rev. A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.34.2771· OSTI ID:5146491

Meyer, W; Frommhold, L

For the study of collision-induced dipole moments, the collisional H/sub 2/-He complex is treated as a molecule in the self-consistent-field and size-consistent coupled electron pair approximations. The basis set accounts for 95% of the correlation energies and separates correctly at distant range. The vibrational average (v -- v' -- 0) of the induced dipole components is obtained and recast in a simple but accurate analytical representation. It is used for computations of the spectral moments and spectral profile of the collision-induced rototranslational spectra of H/sub 2/-He. The computations are in close agreement, on an absolute intensity scale, with Birnbaum's measurements at 77, 195, and 292 K of such spectra. The fundamental theory is thus seen to predict these spectra reliably even when the anisotropy of the potential is neglected, probably with an accuracy of better than 5%, over the frequency band from 0 to --2000 cm/sup -1/.

• Research Organization: Fachbereich Chemie, Universitat Kaiserslautern, 675 Kaiserslautern, Federal Republic of Germany
• OSTI ID: 5146491
• Journal Information: Phys. Rev. A; (United States), Journal Name: Phys. Rev. A; (United States) Vol. 34:4; ISSN PLRAA
• Country of Publication: United States
• Language: English

Related Subjects

640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
COLLISIONS
COMPLEXES
DIPOLE MOMENTS
ELEMENTS
ENERGY LEVELS
EXCITED STATES
FLUIDS
GASES
HELIUM
HELIUM COMPLEXES
HYDROGEN
MOLECULE COLLISIONS
NONMETALS
RARE GASES
ROTATIONAL STATES