Axel D. Becke

216.3k total citations · 25 hit papers
93 papers, 190.6k citations indexed

About

Axel D. Becke is a scholar working on Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry and Organic Chemistry. According to data from OpenAlex, Axel D. Becke has authored 93 papers receiving a total of 190.6k indexed citations (citations by other indexed papers that have themselves been cited), including 78 papers in Atomic and Molecular Physics, and Optics, 26 papers in Physical and Theoretical Chemistry and 20 papers in Organic Chemistry. Recurrent topics in Axel D. Becke's work include Advanced Chemical Physics Studies (74 papers), Spectroscopy and Quantum Chemical Studies (39 papers) and Crystallography and molecular interactions (18 papers). Axel D. Becke is often cited by papers focused on Advanced Chemical Physics Studies (74 papers), Spectroscopy and Quantum Chemical Studies (39 papers) and Crystallography and molecular interactions (18 papers). Axel D. Becke collaborates with scholars based in Canada, United States and United Kingdom. Axel D. Becke's co-authors include Erin R. Johnson, Kenneth E. Edgecombe, W. Kohn, Robert G. Parr, Hartmut Schmider, Marc R. Roussel, Ross M. Dickson, Felix O. Kannemann, J. Flad and Hans Georg̀ von Schnering and has published in prestigious journals such as Journal of the American Chemical Society, Angewandte Chemie International Edition and The Journal of Chemical Physics.

In The Last Decade

Axel D. Becke

93 papers receiving 187.4k citations

Hit Papers

Density-functional thermochemistry. III. The role of exac... 1986 2026 1999 2012 1993 1988 1993 1990 1992 25.0k 50.0k 75.0k
What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

  1. Density-functional thermochemistry. III. The role of exact exchange
    1993 91.5k citations Axel D. Becke The Journal of Chemical Physics profile →
  2. Density-functional exchange-energy approximation with correct asymptotic behavior
    1988 47.3k citations Axel D. Becke Physical review. A, General physics profile →
  3. A new mixing of Hartree–Fock and local density-functional theories
    1993 14.2k citations Axel D. Becke The Journal of Chemical Physics profile →
  4. A simple measure of electron localization in atomic and molecular systems
    1990 5.7k citations Axel D. Becke, Kenneth E. Edgecombe The Journal of Chemical Physics profile →
  5. Density-functional thermochemistry. I. The effect of the exchange-only gradient correction
    1992 3.1k citations Axel D. Becke The Journal of Chemical Physics profile →
  6. Density Functional Theory of Electronic Structure
    1996 2.7k citations W. Kohn, Axel D. Becke et al. The Journal of Physical Chemistry profile →
  7. Density-functional thermochemistry. IV. A new dynamical correlation functional and implications for exact-exchange mixing
    1996 2.4k citations Axel D. Becke The Journal of Chemical Physics profile →
  8. A multicenter numerical integration scheme for polyatomic molecules
    1988 2.2k citations Axel D. Becke The Journal of Chemical Physics profile →
  9. Density-functional thermochemistry.
    1996 1.7k citations Axel D. Becke profile →
  10. Density-functional thermochemistry. V. Systematic optimization of exchange-correlation functionals
    1997 1.7k citations Axel D. Becke The Journal of Chemical Physics profile →
  11. Density-functional thermochemistry. II. The effect of the Perdew–Wang generalized-gradient correlation correction
    1992 1.5k citations Axel D. Becke The Journal of Chemical Physics profile →
  12. Density functional calculations of molecular bond energies
    1986 1.5k citations Axel D. Becke The Journal of Chemical Physics profile →
  13. A density-functional model of the dispersion interaction
    2005 1.3k citations Axel D. Becke, Erin R. Johnson The Journal of Chemical Physics profile →
  14. A simple effective potential for exchange
    2006 1.3k citations Axel D. Becke, Erin R. Johnson The Journal of Chemical Physics profile →
  15. Perspective: Fifty years of density-functional theory in chemical physics
    2014 1.1k citations Axel D. Becke The Journal of Chemical Physics profile →
  16. A post-Hartree-Fock model of intermolecular interactions: Inclusion of higher-order corrections
    2006 997 citations Erin R. Johnson, Axel D. Becke The Journal of Chemical Physics profile →
  17. Correlation energy of an inhomogeneous electron gas: A coordinate-space model
    1988 808 citations Axel D. Becke The Journal of Chemical Physics profile →
  18. A post-Hartree–Fock model of intermolecular interactions
    2005 792 citations Erin R. Johnson, Axel D. Becke The Journal of Chemical Physics profile →
  19. Optimized density functionals from the extended G2 test set
    1998 677 citations Axel D. Becke et al. The Journal of Chemical Physics profile →
  20. Exchange holes in inhomogeneous systems: A coordinate-space model
    1989 629 citations Axel D. Becke et al. Physical review. A, General physics profile →
  21. Chemical content of the kinetic energy density
    2000 592 citations Axel D. Becke et al. profile →
  22. A New Look at Electron Localization
    1991 583 citations Axel D. Becke et al. profile →
  23. Exchange-hole dipole moment and the dispersion interaction
    2005 505 citations Axel D. Becke, Erin R. Johnson The Journal of Chemical Physics profile →
  24. A density-functional study of van der Waals forces: rare gas diatomics
    1995 449 citations Axel D. Becke et al. profile →
  25. Exchange-hole dipole moment and the dispersion interaction revisited
    2007 431 citations Axel D. Becke, Erin R. Johnson The Journal of Chemical Physics profile →

Peers

Axel D. Becke
Weitao Yang United States
Stefan Grimme Germany
Donald G. Truhlar United States
John A. Pople United States
Robert G. Parr United States
Reinhart Ahlrichs Germany
Chengteh Lee United States
John P. Perdew United States
Vincenzo Barone Italy
Michael J. Frisch United States
Weitao Yang United States
Axel D. Becke
Citations per year, relative to Axel D. Becke Axel D. Becke (= 1×) peers Weitao Yang

Countries citing papers authored by Axel D. Becke

Since Specialization
Citations

This map shows the geographic impact of Axel D. Becke's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Axel D. Becke with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Axel D. Becke more than expected).

Fields of papers citing papers by Axel D. Becke

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Axel D. Becke. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Axel D. Becke. The network helps show where Axel D. Becke may publish in the future.

Co-authorship network of co-authors of Axel D. Becke

This figure shows the co-authorship network connecting the top 25 collaborators of Axel D. Becke. A scholar is included among the top collaborators of Axel D. Becke based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Axel D. Becke. Axel D. Becke is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

20 of 20 papers shown
1.
Becke, Axel D., et al.. (2021). Theoretical investigation of polymorph- and coformer-dependent photoluminescence in molecular crystals. CrystEngComm. 23(24). 4264–4271. 11 indexed citations
2.
Becke, Axel D., et al.. (2020). Computational modeling of piezochromism in molecular crystals. The Journal of Chemical Physics. 152(23). 234106–234106. 4 indexed citations
3.
Awoonor‐Williams, Ernest, William C. Isley, Stephen G. Dale, et al.. (2019). Quantum Chemical Methods for Modeling Covalent Modification of Biological Thiols. Journal of Computational Chemistry. 41(5). 427–438. 36 indexed citations
4.
LeBlanc, Luc M., Stephen G. Dale, Christopher R. Taylor, et al.. (2018). Pervasive Delocalisation Error Causes Spurious Proton Transfer in Organic Acid–Base Co‐Crystals. Angewandte Chemie International Edition. 57(45). 14906–14910. 54 indexed citations
5.
Becke, Axel D., Stephen G. Dale, & Erin R. Johnson. (2018). Communication: Correct charge transfer in CT complexes from the Becke’05 density functional. The Journal of Chemical Physics. 148(21). 211101–211101. 18 indexed citations
6.
Becke, Axel D., et al.. (2018). Communication: Becke’s virial exciton model gives accurate charge-transfer excitation energies. The Journal of Chemical Physics. 149(23). 231101–231101. 9 indexed citations
7.
Dale, Stephen G., Axel D. Becke, & Erin R. Johnson. (2018). Density-functional description of alkalides: introducing the alkalide state. Physical Chemistry Chemical Physics. 20(41). 26710–26718. 9 indexed citations
8.
LeBlanc, Luc M., Stephen G. Dale, Christopher R. Taylor, et al.. (2018). Pervasive Delocalisation Error Causes Spurious Proton Transfer in Organic Acid–Base Co‐Crystals. Angewandte Chemie. 130(45). 15122–15126. 14 indexed citations
9.
Dale, Stephen G., Erin R. Johnson, & Axel D. Becke. (2017). Interrogating the Becke’05 density functional for non-locality information. The Journal of Chemical Physics. 147(15). 154103–154103. 16 indexed citations
10.
Johnson, Erin R. & Axel D. Becke. (2015). Density functionals : thermochemistry. Digital Access to Libraries (Université catholique de Louvain (UCL), l'Université de Namur (UNamur) and the Université Saint-Louis (USL-B)). 7 indexed citations
11.
Arabi, Alya A. & Axel D. Becke. (2012). Assessment of the PW86+PBE+XDM density functional on van der Waals complexes at non-equilibrium geometries. The Journal of Chemical Physics. 137(1). 14104–14104. 14 indexed citations
12.
Johnson, Erin R. & Axel D. Becke. (2009). Tests of an exact-exchange-based density-functional theory on transition-metal complexes. Canadian Journal of Chemistry. 87(10). 1369–1373. 23 indexed citations
13.
Becke, Axel D.. (2009). A density-functional approximation for relativistic kinetic energy. The Journal of Chemical Physics. 131(24). 244118–244118. 6 indexed citations
14.
Becke, Axel D. & Erin R. Johnson. (2006). A simple effective potential for exchange. The Journal of Chemical Physics. 124(22). 221101–221101. 1280 indexed citations breakdown →
15.
Kohn, W., Axel D. Becke, & Robert G. Parr. (1996). Density Functional Theory of Electronic Structure. The Journal of Physical Chemistry. 100(31). 12974–12980. 2676 indexed citations breakdown →
16.
Becke, Axel D.. (1993). Density-functional thermochemistry. III. The role of exact exchange. The Journal of Chemical Physics. 98(7). 5648–5652. 91540 indexed citations breakdown →
17.
Becke, Axel D.. (1992). Density-functional thermochemistry. I. The effect of the exchange-only gradient correction. The Journal of Chemical Physics. 96(3). 2155–2160. 3125 indexed citations breakdown →
18.
Becke, Axel D.. (1992). Density-functional thermochemistry. II. The effect of the Perdew–Wang generalized-gradient correlation correction. The Journal of Chemical Physics. 97(12). 9173–9177. 1545 indexed citations breakdown →
19.
Becke, Axel D. & Kenneth E. Edgecombe. (1990). A simple measure of electron localization in atomic and molecular systems. The Journal of Chemical Physics. 92(9). 5397–5403. 5716 indexed citations breakdown →
20.
Becke, Axel D.. (1988). Density-functional exchange-energy approximation with correct asymptotic behavior. Physical review. A, General physics. 38(6). 3098–3100. 47279 indexed citations breakdown →

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