Analysis of hypervirial methods of calculating ionization potentials and transition energies of atoms and molecules
Abstract
Simons (1975) used the integral Hellmann-Feynman theorem to obtain expressions for calculating the ionization potentials and transition energies of helium and hydrogen. The present paper establishes the relationship between Simon's expressions and generalized hypervirial relations. Calculations are presented for the helium atom and ion.
- Publication:
-
Akademiia Nauk BSSR Doklady
- Pub Date:
- November 1977
- Bibcode:
- 1977DoBel..21..980L
- Keywords:
-
- Electron Transitions;
- Helium Atoms;
- Ionization Potentials;
- Virial Theorem;
- Hamiltonian Functions;
- Helium Ions;
- Hellmann-Feynman Theorem;
- Molecular Gases;
- Operators (Mathematics);
- Atomic and Molecular Physics