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

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

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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.

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Authors and Affiliations

  1. Bell Laboratories, Lucent Technologies, Murray Hill, NJ 07974, USA, , , , , , US

    Krishnan Raghavachari

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  1. Krishnan Raghavachari
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Received: 30 March 1999 / Accepted: 27 April 1999 / Published online: 4 October 1999

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Raghavachari, K. Perspective on “Density functional thermochemistry. III. The role of exact exchange”. Theor Chem Acc 103, 361–363 (2000). https://doi.org/10.1007/s002149900065

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  • DOI: https://doi.org/10.1007/s002149900065

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