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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… Expand
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Papers overview

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Highly Cited
2011
Highly Cited
2011
The modified Becke-Johnson exchange potential [F. Tran and P. Blaha, Phys. Rev. Lett. 102, 226401 (2009)] (TB-mBJ) is tested on… Expand
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Highly Cited
2004
Highly Cited
2004
Based on the modified Perdew and Wang exchange functional (MPW) and Becke's 1995 correlation functional (B95), we developed two… Expand
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Highly Cited
2002
Highly Cited
2002
We have investigated the lowest-energy structures and electronic properties of the ${\mathrm{Au}}_{n}(n=2--20)$ clusters based on… Expand
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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… Expand
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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… Expand
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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… Expand
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Highly Cited
1993
Highly Cited
1993
The results of a systematic study of molecular properties by density functional theory (DFT) are presented and discussed… Expand
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Highly Cited
1992
Highly Cited
1992
Abstract The performance of a recently introduced hybrid of density functional theory and Hartree—Fock theory, the B—LYP/HF… Expand
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Highly Cited
1992
Highly Cited
1992
verify this result half quantitatively using a model kit as analog computer. The different sizes of C and Si are simulated with… Expand
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Highly Cited
1989
Highly Cited
1989
Abstract Two recently published density functionals (A.D. Becke, J. Chem. Phys. 88 (1988) 1053 and C. Lee, W. Yang and R.G. Parr… Expand
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