Variational calculations for the hydrogen atom confined in spaces with paraboloidal and spheroidal boundaries

Journal Article · Wed Apr 05 00:00:00 EDT 1995 · International Journal of Quantum Chemistry

DOI:https://doi.org/10.1002/qua.560540103· OSTI ID:450669

Cruz, S A ^[1]; Ley-Koo, E ^[2]; Marin, J L ^[3]; Taylor-Armitage, A ^[4]

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1. Universidad Autonoma Metropolitana-Iztapalapa, Mexico (Mexico)
2. Universidad Nacional Autonoma de Mexico (Mexico)
3. Universidad de Sonora (Mexico)
4. Universidad de Guadalajara, Jalisco (Mexico)

Variational calculations for the lowest-energy states of the hydrogen atom confined in (A) semi-infinite spaces with paraboloidal boundaries, (B) symmetrical bodies with paraboloidal surfaces, and (C) prolate spheroidal boxes were performed with geometry-adapted trial wave functions. Comparisons of variational energies with the exact energies available for the respective geometries provide indications on the reliability of the trail wave functions. This is a necessary and preliminary step to investigate atoms with several electrons in the corresponding confining geometries. 32 refs., 3 figs., 3 tabs.

• Sponsoring Organization: USDOE
• OSTI ID: 450669
• Journal Information: International Journal of Quantum Chemistry, Vol. 54, Issue 1; Other Information: PBD: 5 Apr 1995
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
HYDROGEN
ELECTRONIC STRUCTURE
MATHEMATICAL MODELS
WAVE FUNCTIONS
VARIATIONAL METHODS