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Perspective on “Density functional thermochemistry. III. The role of exact exchange”

Becke AD (1993) J Chem Phys 98:5648 – 52
Chapter

Abstract

Recent developments in density functional theory have transformed the entire field of quantum chemistry. This paper provides a perspective on Becke’s landmark papers in 1992 and 1993 that led to the popular density functionals such as B3LYP.

Key words

Quantum chemistry Density functional theory Theoretical thermochemistry 

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Copyright information

© Springer-Verlag Berlin Heidelberg 2000

Authors and Affiliations

  1. 1.Bell LaboratoriesLucent TechnologiesMurray HillUSA

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