Pauli blockade

There have been numerous schemes proposed in the literature to circumvent some of these difficulties. One worth mention sets up a Pauli blockade which prevents any of the intermediate wave functions from violating the Pauli principle. It effectively combines into a single term the KM polarization, charge transfer, and mix terms. There is also the problem that basis set superposition error contaminates each of the components, making a physical interpretation difficult. Various means have been devised over the years to circumvent this problem... 

This became evident after a study called the Pauli blockade.It was shown that if the PauU exclusion principle is not obeyed, the electrons of the subsystem A can flow, without any penalty and totally non-physically, to the low-eneigy orbitals of B. This may lead to occupation of that orbital by four electrons ( ), whereas the PauU principle admits only a maximum of a double occupation. 

Pauli blockade (p. 842) penetration energy (p. 814) permanent multipoles (p. 826) polarization catastrophe (p. 858) polarization collapse (p. 836) polarization perturbation theory (p. 840) rotaxans (p. 801)... 

Pauli blockade (p. 722) exchange-deformation interaction (p. 722) interaction non-additivity (p. 726) many-body expansion (p. 727)... 

Please recall the Pauli Blockade, p. 722. Space restrictions for an atom or molecule by the excluded volume of other atoms, i.e. mechanical pushing leads to changes in its electronic structure. These changes may be very large under high pressure. 

Terry AV Jr, Williamson R, Gattu M, Beach JW, McCurdy CR, Sparks JA, Pauly JR. (1998). Lobeline and structurally simplified analogs exhibit differential agonist activity and sensitivity to antagonist blockade when compared to nicotine. Neuropharmacology. 37(1) 93-102. 

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