Evert Jan Baerends

67.6k total citations · 19 hit papers
368 papers, 57.5k citations indexed

About

Evert Jan Baerends is a scholar working on Atomic and Molecular Physics, and Optics, Materials Chemistry and Inorganic Chemistry. According to data from OpenAlex, Evert Jan Baerends has authored 368 papers receiving a total of 57.5k indexed citations (citations by other indexed papers that have themselves been cited), including 259 papers in Atomic and Molecular Physics, and Optics, 99 papers in Materials Chemistry and 93 papers in Inorganic Chemistry. Recurrent topics in Evert Jan Baerends's work include Advanced Chemical Physics Studies (232 papers), Spectroscopy and Quantum Chemical Studies (105 papers) and Photochemistry and Electron Transfer Studies (43 papers). Evert Jan Baerends is often cited by papers focused on Advanced Chemical Physics Studies (232 papers), Spectroscopy and Quantum Chemical Studies (105 papers) and Photochemistry and Electron Transfer Studies (43 papers). Evert Jan Baerends collaborates with scholars based in Netherlands, China and South Korea. Evert Jan Baerends's co-authors include J. G. Snijders, Erik van Lenthe, G. te Velde, Célia Fonseca Guerra, O. V. Gritsenko, S. J. A. van Gisbergen, Tom Ziegler, F. Matthias Bickelhaupt, P. Ros and Robert van Leeuwen and has published in prestigious journals such as Journal of the American Chemical Society, Physical Review Letters and Angewandte Chemie International Edition.

In The Last Decade

Evert Jan Baerends

364 papers receiving 56.5k citations

Hit Papers

Chemistry with ADF 1973 2026 1990 2008 2001 1993 1994 1973 1998 2.5k 5.0k 7.5k
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. Chemistry with ADF
    2001 8.9k citations G. te Velde, Evert Jan Baerends et al. Journal of Computational Chemistry profile →
  2. Relativistic regular two-component Hamiltonians
    1993 3.8k citations Erik van Lenthe, Evert Jan Baerends et al. The Journal of Chemical Physics profile →
  3. Relativistic total energy using regular approximations
    1994 2.9k citations Erik van Lenthe, Evert Jan Baerends et al. The Journal of Chemical Physics profile →
  4. Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure
    1973 2.8k citations Evert Jan Baerends et al. Chemical Physics profile →
  5. Towards an order- N DFT method
    1998 2.5k citations Célia Fonseca Guerra, J. G. Snijders et al. Theoretical Chemistry Accounts profile →
  6. Optimized Slater‐type basis sets for the elements 1–118
    2003 2.4k citations Erik van Lenthe, Evert Jan Baerends Journal of Computational Chemistry profile →
  7. Numerical integration for polyatomic systems
    1992 1.7k citations G. te Velde, Evert Jan Baerends profile →
  8. The zero-order regular approximation for relativistic effects: The effect of spin–orbit coupling in closed shell molecules
    1996 1.5k citations Erik van Lenthe, J. G. Snijders et al. The Journal of Chemical Physics profile →
  9. Exchange-correlation potential with correct asymptotic behavior
    1994 1.3k citations Evert Jan Baerends et al. Physical Review A profile →
  10. Relativistic regular two-component Hamiltonians
    1996 1.0k citations Erik van Lenthe, Evert Jan Baerends et al. profile →
  11. Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis
    2003 993 citations Célia Fonseca Guerra, Evert Jan Baerends et al. Journal of Computational Chemistry profile →
  12. On the calculation of multiplet energies by the hartree-fock-slater method
    1977 810 citations Evert Jan Baerends et al. Theoretical Chemistry Accounts profile →
  13. Roothaan-Hartree-Fock-Slater atomic wave functions
    1981 763 citations J. G. Snijders, P. Vernooijs et al. profile →
  14. Molecular calculations of excitation energies and (hyper)polarizabilities with a statistical average of orbital model exchange-correlation potentials
    2000 628 citations O. V. Gritsenko, Evert Jan Baerends et al. The Journal of Chemical Physics profile →
  15. A Quantum Chemical View of Density Functional Theory
    1997 517 citations Evert Jan Baerends, O. V. Gritsenko The Journal of Physical Chemistry A profile →
  16. Electronic structure, magnetic properties, ESR, and optical spectra for 2-iron ferredoxin models by LCAO-X.alpha. valence bond theory
    1984 460 citations Evert Jan Baerends et al. profile →
  17. Density functional calculations of nuclear magnetic shieldings using the zeroth-order regular approximation (ZORA) for relativistic effects: ZORA nuclear magnetic resonance
    1999 440 citations Erik van Lenthe, Evert Jan Baerends et al. The Journal of Chemical Physics profile →
  18. Self-consistent molecular Hartree—Fock—Slater calculations II. The effect of exchange scaling in some small molecules
    1973 369 citations Evert Jan Baerends et al. Chemical Physics profile →
  19. The Kohn–Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn–Sham orbital energies
    2013 353 citations Evert Jan Baerends, O. V. Gritsenko et al. profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name h Career Trend Papers Cites
Evert Jan Baerends Netherlands 93 23.0k 20.2k 16.8k 16.2k 10.1k 368 57.5k
Tom Ziegler Canada 87 13.6k 0.6× 12.6k 0.6× 21.2k 1.3× 15.4k 1.0× 7.1k 0.7× 456 45.6k
Florian Weigend Germany 49 14.0k 0.6× 16.5k 0.8× 18.0k 1.1× 14.1k 0.9× 7.5k 0.7× 205 50.3k
Roald Hoffmann United States 119 11.1k 0.5× 18.0k 0.9× 24.4k 1.5× 15.2k 0.9× 8.1k 0.8× 701 55.0k
Michael J. Frisch United States 92 31.0k 1.3× 20.9k 1.0× 28.4k 1.7× 11.0k 0.7× 17.7k 1.8× 280 81.5k
Chengteh Lee United States 19 23.5k 1.0× 27.7k 1.4× 35.5k 2.1× 16.9k 1.0× 15.2k 1.5× 26 90.2k
Reinhart Ahlrichs Germany 79 27.8k 1.2× 30.2k 1.5× 31.6k 1.9× 24.8k 1.5× 14.9k 1.5× 324 91.0k
Frank Weinhold United States 66 15.7k 0.7× 11.8k 0.6× 26.0k 1.5× 13.7k 0.8× 14.1k 1.4× 235 55.2k
Christopher J. Cramer United States 99 11.7k 0.5× 16.8k 0.8× 25.0k 1.5× 16.9k 1.0× 8.9k 0.9× 545 60.8k
Larry A. Curtiss United States 106 21.7k 0.9× 21.9k 1.1× 21.7k 1.3× 10.8k 0.7× 10.4k 1.0× 497 72.8k
P. Jeffrey Hay United States 61 11.8k 0.5× 18.1k 0.9× 19.0k 1.1× 15.9k 1.0× 4.4k 0.4× 127 50.0k

Countries citing papers authored by Evert Jan Baerends

Since Specialization
Citations

This map shows the geographic impact of Evert Jan Baerends'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 Evert Jan Baerends with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Evert Jan Baerends more than expected).

Fields of papers citing papers by Evert Jan Baerends

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Evert Jan Baerends. 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 Evert Jan Baerends. The network helps show where Evert Jan Baerends may publish in the future.

Co-authorship network of co-authors of Evert Jan Baerends

This figure shows the co-authorship network connecting the top 25 collaborators of Evert Jan Baerends. A scholar is included among the top collaborators of Evert Jan Baerends 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 Evert Jan Baerends. Evert Jan Baerends 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.
Sheng, Xiaowei, et al.. (2024). Dispersion Energies with the i-DMFT Method. Journal of Chemical Theory and Computation. 20(13). 5466–5474. 1 indexed citations
2.
Amati, Mario, Evert Jan Baerends, Giampaolo Ricciardi, & Angela Rosa. (2020). Origin of the Enhanced Binding Capability toward Axial Nitrogen Bases of Ni(II) Porphyrins Bearing Electron-Withdrawing Substituents: An Electronic Structure and Bond Energy Analysis. Inorganic Chemistry. 59(16). 11528–11541. 6 indexed citations
3.
Bernasconi, Leonardo & Evert Jan Baerends. (2008). The EDTA Complex of Oxidoiron(IV) as Realisation of an Optimal Ligand Environment for High Activity of FeO2+. European Journal of Inorganic Chemistry. 2008(10). 1672–1681. 62 indexed citations
4.
Baerends, Evert Jan & O. V. Gritsenko. (2005). Away from generalized gradient approximation: Orbital-dependent exchange-correlation functionals. The Journal of Chemical Physics. 123(6). 62202–62202. 47 indexed citations
5.
Neugebauer, Johannes, Evert Jan Baerends, & Marcel Nooijen. (2005). Vibronic Structure of the Permanganate Absorption Spectrum from Time-Dependent Density Functional Calculations. The Journal of Physical Chemistry A. 109(6). 1168–1179. 54 indexed citations
6.
Chong, Delano P., et al.. (2004). Even‐tempered slater‐type orbitals revisited: From hydrogen to krypton. Journal of Computational Chemistry. 25(8). 1030–1036. 208 indexed citations
7.
Gritsenko, O. V. & Evert Jan Baerends. (2004). Asymptotic correction of the exchange–correlation kernel of time-dependent density functional theory for long-range charge-transfer excitations. The Journal of Chemical Physics. 121(2). 655–660. 294 indexed citations
8.
Buda, Francesco, Bernd Ensing, M.C.M. Gribnau, & Evert Jan Baerends. (2003). O2 Evolution in the Fenton Reaction. Chemistry - A European Journal. 9(14). 3436–3444. 77 indexed citations
9.
Ensing, Bernd & Evert Jan Baerends. (2002). Reaction Path Sampling of the Reaction between Iron(II) and Hydrogen Peroxide in Aqueous Solution. The Journal of Physical Chemistry A. 106(34). 7902–7910. 65 indexed citations
10.
Guerra, Célia Fonseca, J. G. Snijders, G. te Velde, & Evert Jan Baerends. (1998). Towards an order- N DFT method. Theoretical Chemistry Accounts. 99(6). 391–403. 2545 indexed citations breakdown →
11.
Gritsenko, O. V. & Evert Jan Baerends. (1997). Electron correlation effects on the shape of the Kohn-Sham molecular orbital. Theoretical Chemistry Accounts. 96(1). 44–50. 39 indexed citations
12.
Wiesenekker, G., Geert–Jan Kroes, & Evert Jan Baerends. (1996). An analytical six-dimensional potential energy surface for dissociation of molecular hydrogen on Cu(100). The Journal of Chemical Physics. 104(18). 7344–7358. 103 indexed citations
13.
14.
Gritsenko, O. V. & Evert Jan Baerends. (1996). Effect of molecular dissociation on the exchange-correlation Kohn-Sham potential. Physical Review A. 54(3). 1957–1972. 101 indexed citations
15.
Peterson, Michael A., et al.. (1990). A theoretical study of the linear versus bent geometry for several MX2 molecules: MgF2, CaH2, CaF2, CeO2 and YbCl2. Polyhedron. 9(15-16). 1919–1934. 68 indexed citations
16.
Nooijen, Marcel, G. te Velde, & Evert Jan Baerends. (1990). Symmetric Numerical Integration Formulas for Regular Polygons. SIAM Journal on Numerical Analysis. 27(1). 198–218. 9 indexed citations
17.
Stufkens, Derk J., et al.. (1989). Structural, spectroscopic and theoretical studies of novel d6 fac-bromotricarbonyl(dithiooxamide)rhenium complexes. Inorganic Chemistry. 28(22). 4104–4113. 18 indexed citations
18.
Allen, G. C., Evert Jan Baerends, P. Vernooijs, et al.. (1988). High temperature photoelectron spectroscopy: A study of U, UO, and UO2. The Journal of Chemical Physics. 89(9). 5363–5372. 24 indexed citations
19.
Baerends, Evert Jan, et al.. (1985). Basis set effects on the electron density and spectroscopic properties of CO. Journal of Molecular Structure THEOCHEM. 133. 147–159. 19 indexed citations
20.

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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