Axel D. Becke
Dalhousie University(CA)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Crystallography and molecular interactions, Chemical Thermodynamics and Molecular Structure, Molecular Junctions and Nanostructures
Most-Cited Works
- → Density-functional thermochemistry. III. The role of exact exchange(1993)101,526 cited
- → Density-functional exchange-energy approximation with correct asymptotic behavior(1988)53,059 cited
- → A new mixing of Hartree–Fock and local density-functional theories(1993)16,288 cited
- → A simple measure of electron localization in atomic and molecular systems(1990)6,841 cited
- → Density-functional thermochemistry. I. The effect of the exchange-only gradient correction(1992)3,792 cited
- → Density Functional Theory of Electronic Structure(1996)3,337 cited
- → Density-functional thermochemistry. IV. A new dynamical correlation functional and implications for exact-exchange mixing(1996)2,728 cited