A semiempirical method based on geminal functions |
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| Authors: | A Neszmelyi L Paoloni |
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| Institution: | (1) Gruppo Chimica Teorica, C.N.R., Roma;(2) Gruppo Chimica Teorica, Università, Palermo;(3) Present address: Central Research Institute for Chemistry, 114, CP 17 Budapest, Hungary |
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| Abstract: | An extention is reported of a previously proposed semiempirical approach based on geminal functions and formulas are given for the transition moments and the electronic population analysis.The case of pyridine is considered as an example and used to predict the n  
* or
* character of its lower transition.This work was carried out with the financial support of the Consiglio Nazionale delle Ricerche (C.N.R.), Roma. |
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