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The James wavefunction for the ground state of H2+

โœ Scribed by M. Geller; O. Ludwig

Publisher
Elsevier Science
Year
1971
Tongue
English
Weight
75 KB
Volume
12
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

A recent article by Jackson, McEachran and Cohen on the James wavefunction for the ground state of Hz completely duplicates previous efforts by the present authors.

๐Ÿ“œ SIMILAR VOLUMES

An improved James function for the groun
An improved James function for the ground state of H+2
โœ R.P. McEachran; M. Cohen ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 352 KB

The James function for the ground state of Hz has been corrected through firsr order of Rayleigh-SchrGdinger perturbation theory. The resulting energies are effectively esact over a rnngz of internuclear separations from 0 to 5 au.

Local energy examination of accurate var
Local energy examination of accurate variational gaussian wavefunctions for the H-atom ground state
โœ Maurice E. Schwartz ๐Ÿ“‚ Article ๐Ÿ“… 1967 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 261 KB

In order to understand more fully some recent lower-bound computations For Gaussian expansions of the H-atom ground state, a study of the local energy for these wavefunctions has been made. It is found that the "local kinetic energy " TV/U (T = kinetic energy operator; cp = wavefunction) is quite oo

Variationally improving the Inui wavefun
Variationally improving the Inui wavefunction for H2
โœ Valerio Magnasco; Andrea Siciliano; Giuseppe Figari ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 715 KB

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 t