✦ LIBER ✦
Local energy examination of accurate variational gaussian wavefunctions for the H-atom ground state
✍ Scribed by Maurice E. Schwartz
- Publisher
- Elsevier Science
- Year
- 1967
- Tongue
- English
- Weight
- 261 KB
- Volume
- 1
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
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 oor near the nucleus, and it is shown how this gives poor accuracy for the energy variance (8()2>-(%)g and