Deviations from Kleinman symmetry measured for several simple atoms and molecules

Journal Article · Wed May 01 00:00:00 EDT 1985 · Phys. Rev. A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.31.3145· OSTI ID:5902941

Mizrahi, V; Shelton, D P

Deviations from Kleinman symmetry for the second hyperpolarizability tensors of some simple atoms and molecules (He, Ar, Kr, Xe, CH/sub 4/, CF/sub 4/, SF/sub 6/, H/sub 2/, D/sub 2/, N/sub 2/, O/sub 2/, CO/sub 2/, C/sub 2/H/sub 6/, CHF/sub 3/, and C/sub 2/H/sub 4/) have been measured down to the 0.1% level of accuracy at several frequencies far below the first strong electronic resonance, by means of dc-electric-field--induced second-harmonic generation (ESHG). The results of the experiment are discussed within the framework of several models. The observed Kleinman-symmetry deviations are small compared to the electronic dispersion, and appear to be dominated by electronic rather than vibrational contributions. However, vibrations are shown to play a role in the case of H/sub 2/, and the results observed for H/sub 2/ and D/sub 2/ differ significantly. The observed deviation for He is relatively large and should provide a sensitive test of ab initio calculations.

• Research Organization: Department of Physics, University of Toronto, Toronto, Ontario, Canada M5S1A7
• OSTI ID: 5902941
• Journal Information: Phys. Rev. A; (United States), Vol. 31:5
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
CARBON DIOXIDE
POLARIZABILITY
CARBON TETRAFLUORIDE
DEUTERIUM
ETHANE
ETHYLENE
FLUOROFORM
HYDROGEN
METHANE
NITROGEN
OXYGEN
RARE GASES
SULFUR FLUORIDES
OPTICAL PROPERTIES
SYMMETRY
ALKANES
ALKENES
CARBON COMPOUNDS
CARBON OXIDES
CHALCOGENIDES
ELECTRICAL PROPERTIES
ELEMENTS
FLUIDS
FLUORIDES
FLUORINATED ALIPHATIC HYDROCARBONS
FLUORINE COMPOUNDS
GASES
HALIDES
HALOGEN COMPOUNDS
HALOGENATED ALIPHATIC HYDROCARBONS
HYDROCARBONS
HYDROGEN ISOTOPES
ISOTOPES
LIGHT NUCLEI
NONMETALS
NUCLEI
ODD-ODD NUCLEI
ORGANIC COMPOUNDS
ORGANIC FLUORINE COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
OXIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
STABLE ISOTOPES
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640302* - Atomic
Molecular & Chemical Physics- Atomic & Molecular Properties & Theory