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Vibrational corrections to the charge and momentum densities of H2

✍ Scribed by Elain Braun-Keller; Irving R. Epstein

Publisher: Elsevier Science
Year: 1976
Tongue: English
Weight: 428 KB
Volume: 40
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(76)85061-0

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✦ Synopsis

Vibrational corrections to the charge and momentum densities of Hz are calculated using the Wang wavefunction and various expressions for the dependence of the effective nucIear charge on the interatomic distance_ Both harmonic oscillator and Morse potentials are empIoyed for the vibrationai wavefunctions, and excited as well as pound vibrational states are considered. The corrections to the momentum density, though considerably smaller than the charge density corrections, appear to be somewhat more sensitive qualitatively to the choice of both nuclear and electronic wavefunctions.

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