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Development of exchange-correlation functionals with minimal many-electron self-interaction error

✍ Scribed by Cohen, Aron J.; Mori-Sánchez, Paula; Yang, Weitao


Book ID
111677272
Publisher
American Institute of Physics
Year
2007
Tongue
English
Weight
486 KB
Volume
126
Category
Article
ISSN
0021-9606

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## Abstract A method is presented that leads to a simple derivation of the explicit relation between pair‐correlated DODS schemes (e.g., the alternant molecular orbital method and the extended valence bond method) and configuration interaction. This result is based on a reduction formula for the r