✦ LIBER ✦

Variationally improving the Inui wavefunction for H2

✍ Scribed by Valerio Magnasco; Andrea Siciliano; Giuseppe Figari

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 715 KB
Volume: 213
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)85412-h

No coin nor oath required. For personal study only.

✦ Synopsis

The two-parameter Inui wavefunction for the ground and excited states of Hz is improved variationally through an expansion in powers of confocal spheroidal coordinates including the interelectronic distance. A single 69-term expansion gives, for both states, fairly accurate interaction energies in the region of the chemical and van der Waals bond.

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