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Pauli, generally exclusion relation

Some general aspects related to the derivation, and interpretations of ELF analysis, as well as some representative applications have been briefly discussed. The ELF has emerged as a powerful tool to understand in a qualitative way the behaviour of the electrons in a nuclei system. It is possible to explain a great variety of bonding situations ranging from the most standard covalent bond to the metallic bond. The ELF is a well-defined function with a nice pragmatic characteristic. It does not depend neither on the method of calculation nor on the basis set used. Its application to understand new bond phenomenon is already well documented and it can be used safely. Its relationship with the Pauli exclusion principle has been carefully studied, and its consequence to understand the chemical concept of electron pair has also been discussed. A point to be further studied is its application to transition metal atoms with an open d-shell. The role of the nodes of the molecular orbitals and the meaning of ELF values below 0.5 should be clarified. [Pg.82]


See other pages where Pauli, generally exclusion relation is mentioned: [Pg.3866]    [Pg.10]    [Pg.974]    [Pg.963]    [Pg.58]    [Pg.236]    [Pg.879]    [Pg.28]    [Pg.73]    [Pg.39]    [Pg.879]    [Pg.144]   
See also in sourсe #XX -- [ Pg.461 , Pg.522 ]




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