Variational calculations with a hyperspherical basis on atomic helium

Autor: Glen O. Morrell, Dwayne L. Knirk
Rok vydání: 1975
Předmět:
Zdroj: Theoretica Chimica Acta. 37:345-347
ISSN: 1432-2234
0040-5744
DOI: 10.1007/bf01028404
Popis: We have recently formulated an expansion of the N electron wavefunction in an appropriate set of harmonics on the 3 N-dimensional hypersphere. Angular correlation appears in the usual way, while radial correlation appears as a “generalized angular” correlation. Calculations on1S helium have been performed to explore the convergence of this expansion. Energies for various angular approximations have been compared with Bunge's angular limits and show a fractional error
Databáze: OpenAIRE