An extension to the theory of Schrodinger equations has been made αΊ hich enables the derivation of eigenvalues from a consideration of a very small part of geometric space. The concomitant unwanted continuum effects have been removed. The theory enables very convergent or ''superconvergent'' calculat
Finite-difference solution to the schroedinger equation for the ground state and first-excited state of helium
β Scribed by I.L. Hawk; D.L. Hardcastle
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 540 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0021-9991
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π SIMILAR VOLUMES
## Abstract In this paper, finite dimensional approximations for the electronic ground state solution of a molecular system are studied in the ThomasβFermiβvon WeizsΓ€cker type setting. The convergence of the finite dimensional approximations obtained by a Galerkin discretization of the nonlinear ei
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
ASE wavefunctions containing singIy excited (SE) configurations for each space orbital of the principal configuration are compared with similarly constructed pair-excitation (PE) xvavefunctions. The energies ale exactly or almost the same. Near-redundant configurations are removed. and the equivaien