Axel D. Becke

Known as: Axel Becke, Becke 
Axel Dieter Becke (born June 10, 1953) is a physical chemist and Professor of Chemistry at Dalhousie University, Canada. He is a leading researcher… (More)
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Highly Cited
2011
Highly Cited
2011
It is shown by an extensive benchmark on molecular energy data that the mathematical form of the damping function in DFT-D… (More)
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2011
2011
The modified Becke-Johnson exchange potential [F. Tran and P. Blaha, Phys. Rev. Lett. 102, 226401 (2009)] (TB-mBJ) is tested on… (More)
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Highly Cited
2006
Highly Cited
2006
A new density functional (DF) of the generalized gradient approximation (GGA) type for general chemistry applications termed B97… (More)
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2002
2002
Gold clusters are currently attracting interest as the building blocks of novel nanostructured materials and devices.1–4 During… (More)
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Highly Cited
1999
Highly Cited
1999
Analytical expressions are derived for the evaluation of energy gradients in the zeroth order regular approximation~ZORA! to the… (More)
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Highly Cited
1996
Highly Cited
1996
Time dependent density functional methods are applied in the adiabatic approximation to compute low-lying electronic excitations… (More)
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Highly Cited
1993
Highly Cited
1993
Despite the remarkable thermochemical accuracy of Kohn-Sham density-functional theories with gradient corrections for exchange… (More)
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Review
1992
Review
1992
Previous work by the author on diatomic molecules and by others on polyatomic systems has revealed that Kohn-Sham density… (More)
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1992
1992
verify this result half quantitatively using a model kit as analog computer. The different sizes of C and Si are simulated with… (More)
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Highly Cited
1989
Highly Cited
1989
Two recently published density functionals (A.D. Becke, J. Chem. Phys. 88 (1988) 1053 and C. Lee, W. Yang and R.G. Parr, Phys… (More)
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