Shannon Entropy in Configuration Space for Ni-Like Isoelectronic Sequence

Area of Science:

• Atomic Physics
• Quantum Chemistry
• Information Theory

Background:

• Multiconfiguration methods are crucial for describing complex atomic states.
• Understanding information content in atomic systems requires robust theoretical frameworks.
• The Ni-like isoelectronic sequence provides a valuable testbed for atomic structure calculations.

Purpose of the Study:

• To introduce and apply discrete Shannon entropy for interpreting atomic information.
• To clarify the relationship between Shannon entropy, information exchange, and eigenlevel anticrossing.
• To investigate these concepts within the context of Ni-like isoelectronic sequences.

Main Methods:

• Utilized the multiconfiguration Dirac-Hartree-Fock (MCDHF) wavefunction.
• Calculated the energy structure for Ni-like isoelectronic sequences.
• Applied discrete Shannon entropy to analyze atomic state information.

Main Results:

• Established a connection between Shannon entropy changes and eigenlevel anticrossings.
• Demonstrated that nuclear charge (Z) influences this relationship.
• Found eigenlevel anticrossing to be a sufficient and necessary condition for sudden Shannon entropy changes.

Conclusions:

• Discrete Shannon entropy offers a novel perspective on atomic information and quantum phenomena.
• Eigenlevel anticrossing is a key indicator for information exchange and entropy changes.
• This information-theoretic approach aids in locating and understanding physical concepts like anticrossing.