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The James wavefunction for the ground state of H2+

โœ Scribed by M. Jackson; R.P. McEachran; M. Cohen


Publisher
Elsevier Science
Year
1971
Tongue
English
Weight
246 KB
Volume
10
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES


The James wavefunction for the ground st
โœ M. Geller; O. Ludwig ๐Ÿ“‚ Article ๐Ÿ“… 1971 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 75 KB

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.

An improved James function for the groun
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
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
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