Latest explanation for "stability of high multiplicity states"

Click For Summary
SUMMARY

The discussion centers on the stability of high multiplicity states in quantum mechanics, specifically referencing the impact of singly occupied orbitals on electron-nucleus attraction. Accurate quantum-mechanical calculations, initiated in the 1970s, demonstrate that these orbitals are less shielded from the nucleus, leading to increased electron-nucleus attraction energy. Participants inquire about sources for these calculations, particularly the relevance of Hartree-Fock self-consistent field calculations for atomic wavefunctions.

PREREQUISITES
  • Quantum mechanics fundamentals
  • Understanding of Hartree-Fock theory
  • Knowledge of electron shielding and orbital theory
  • Familiarity with atomic wavefunctions
NEXT STEPS
  • Research Hartree-Fock self-consistent field calculations
  • Explore quantum mechanical calculations from the 1970s
  • Study the implications of electron shielding in atomic physics
  • Investigate Hund's rules and their applications in high multiplicity states
USEFUL FOR

Physicists, quantum chemists, and researchers interested in atomic structure and stability of high multiplicity states will benefit from this discussion.

adf89812
Messages
37
Reaction score
1
TL;DR
Latest explanation for "stability of high multiplicity states"
"However, accurate quantum-mechanical calculations (starting in the 1970s)... singly occupied orbitals are less effectively screened or shielded from the nucleus, so that such orbitals contract and electron–nucleus attraction energy becomes greater in magnitude (or decreases algebraically)."
https://en.wikipedia.org/wiki/Hund's_rules:
Where do I find these calculations, papers, or data?
Is the source the "Hartree-Fock self consistent field calculations for the wavefunctions of atoms?"
 
Physics news on Phys.org

Similar threads

  • · Replies 0 ·
Replies
0
Views
2K
Replies
9
Views
6K