On the zero field fluctuation energy correction for the ground state of the helium atom
✍ Scribed by Marian Günther
- Publisher
- Elsevier Science
- Year
- 1949
- Weight
- 83 KB
- Volume
- 15
- Category
- Article
- ISSN
- 0031-8914
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📜 SIMILAR VOLUMES
Explicitly correlated Gaussian functions with $ ; exp( -P62) factors have been used in variational calculations of the ground state of the helium atom. Additional correlation factors in the form of even powers of rii were introduced to the Gaussian functions with exponential correlation components b
## Abstract Explicitly correlated Gaussian functions have been used in variational calculations on the ground state of the helium atom. The major problem of this application, as well as in other applications of the explicitly correlated Gaussian functions to compute electronic energies of atoms and
Lower-bound estimates for the ground-state energy of the helium atom are determined using nonlinear programming techniques. Optimized lower bounds are determined for single-particle, radially correlated, and general correlated wave functions. The local nature of the method employed makes it a very s
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