PulseExploreJournal ClubDebatesTrendingResearchersJournals
Instagram
HomeExploreJournal ClubTrending
Synapse
⌘+K
Synapse
April 1, 1965The Journal of Chemical Physics95 citations

Energy-Term Calculations with Hellmann-Type Pseudopotential

View Full Paper
LSLevente SzászGMGeorge McGinn

Key Points

Key points are not available for this paper at this time.

Abstract

The Hellmann pseudopotential method is used to calculate the energies of the ground states of the atoms Mg, Ca, Sr, Ba, Ra, Zn, Cd, and Hg. Two different types of wavefunctions were employed for the valence electrons: wavefunctions of Hylleraas type explicitly containing r12, and a superposition of the configurations (1s)2 1S and (2p)2 1S. The agreement between the calculated and empirical energies is very good. The results are better with the superposition of configurations than with the wavefunction containing r12.

Ask AI
Helpful
Bookmark
Share
View Full Paper

Cite This Study

Szász et al. (1965) studied this question.

synapsesocial.com/papers/6a1549a89b87f33fc69f6ae5https://doi.org/10.1063/1.1696301
Ask AI
Helpful
Bookmark
Share
View Full Paper