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Axel D. Becke | Researchclopedia

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Axel D. Becke

Dalhousie University ORCID

112

Works

216,373

Citations

60

h-index

90

i10-index

Research Topics

Advanced Chemical Physics Studies Spectroscopy and Quantum Chemical Studies Crystallography and molecular interactions

Affiliations

Dalhousie University1983–2024

Memorial University of Newfoundland2019–2019

University of California, Santa Barbara1996–1996

University of Calgary1987–1987

Duke University2009–2009

Top Works

Density-functional thermochemistry. III. The role of exact exchange

1993101,582 citations

Chemical Thermodynamics and Molecular Structure

Molecular Junctions and Nanostructures

Density-functional exchange-energy approximation with correct asymptotic behavior

198853,084 citations

A new mixing of Hartree–Fock and local density-functional theories

199316,290 citations

A simple measure of electron localization in atomic and molecular systems

Axel D. Becke,Kenneth E. Edgecombe

19906,849 citations

Density-functional thermochemistry. I. The effect of the exchange-only gradient correction

19923,793 citations

Density Functional Theory of Electronic Structure

W. Kohn,Axel D. Becke,et al.

19963,343 citations

Density-functional thermochemistry. IV. A new dynamical correlation functional and implications for exact-exchange mixing

19962,728 citations

A multicenter numerical integration scheme for polyatomic molecules

19882,726 citations

Density-functional thermochemistry.

19962,063 citations