Published December 1, 1991 | Version v1
Journal article

Experimental determination of ground-state correlation effects in molecular nitrogen

  • 1. Department of Chemistry, Indiana University, Bloomington, Indiana 47405 (United States)

Description

High-energy (25--28-keV) electron-impact spectroscopy (HEEIS) has been used to measure a relatively complete Bethe surface for molecular nitrogen. This surface, placed on an absolute scale by Bethe-sum-rule normalization of the generalized oscillator strength (GOS), has been employed to obtain the x-ray incoherent scattering factor S(K) as a function of the momentum transfer K by use of a sum rule of the GOS. Ground-state correlation effects on S(K) were obtained by comparing the experimental results with theory based on a near-Hartree-Fock molecular wave function. The results are compared with recent theoretical calculations of valence-shell correlation effects. It is argued that x-ray and electron-scattering experiments offer the most sensitive tests currently available for valence-shell electron-correlation effects in the ground electronic states of molecules. The results obtained coupled with available theory suggest that correlation effects on the one-electron density play a dominant role in the determination of the total correlation energy of the nitrogen molecule

Additional details

Publishing Information

Journal Title
Physical Review. A, General Physics
Journal Volume
44
Journal Issue
11
Series
Phys. Rev., A Gen. Phys.
Journal Page Range
7361-7378
ISSN
0556-2791
CODEN
PLRAA