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.
The James wavefunction for the ground state of H2+
โ 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
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
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.
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
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