Steric effects from the perspective of Pauli energy

Pauli energy, representing the portion of the kinetic energy that embodies all the effects from the antisymmetric requirement of the total wave function by the Pauli exclusion principle, is proposed as a density-based measure for one of the most widely used concepts in chemistry and physics, namely...

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Veröffentlicht in:	Theoretical chemistry accounts 2023-05, Vol.142 (5), Article 54
Hauptverfasser:	Azizi, Malihe, Alipour, Mojtaba
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic/Molecular Structure and Spectra Chemistry Chemistry and Materials Science Energy Inorganic Chemistry Kinetic energy Organic Chemistry Pauli exclusion principle Physical Chemistry Steric effects Theoretical and Computational Chemistry Wave functions
Online-Zugang:	Volltext
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