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- Evert Jan Baerends

Chemistry

Netherlands

2023

Discipline name
D-index
D-index (Discipline H-index) only includes papers and citation values for an examined
discipline in contrast to General H-index which accounts for publications across all
disciplines.
Citations
Publications
World Ranking
National Ranking

Chemistry
D-index
92
Citations
65,050
295
World Ranking
1025
National Ranking
25

2023 - Research.com Chemistry in Netherlands Leader Award

- Quantum mechanics
- Electron
- Molecule

The scientist’s investigation covers issues in Quantum mechanics, Density functional theory, Atomic orbital, Atomic physics and Time-dependent density functional theory. His Density functional theory research includes themes of Quality, Molecular physics, Ab initio and Excitation. The Molecular physics study combines topics in areas such as Computational chemistry and Polarizability.

His research integrates issues of Valence, Crystallography, Density matrix and Electron pair in his study of Atomic orbital. His Atomic physics research incorporates elements of Ionization, Kohn–Sham equations and Molecular orbital. Evert Jan Baerends works mostly in the field of Molecular orbital, limiting it down to concerns involving Electronic structure and, occasionally, Stereochemistry.

- Chemistry with ADF (6213 citations)
- Relativistic regular two‐component Hamiltonians (2630 citations)
- Towards an order-N DFT method (2330 citations)

His primary scientific interests are in Density functional theory, Atomic physics, Quantum mechanics, Computational chemistry and Atomic orbital. His Density functional theory study combines topics in areas such as Molecular physics, Ab initio and Molecule. His work deals with themes such as Dissociation, Kinetic energy and Adsorption, which intersect with Atomic physics.

His Computational chemistry study combines topics from a wide range of disciplines, such as Crystallography, Solvation and Chemical physics. The various areas that Evert Jan Baerends examines in his Atomic orbital study include Valence and Relativistic quantum chemistry. Evert Jan Baerends combines subjects such as Electron density and Ionization energy with his study of Molecular orbital.

- Density functional theory (40.06%)
- Atomic physics (26.14%)
- Quantum mechanics (24.15%)

- Density functional theory (40.06%)
- Quantum mechanics (24.15%)
- Atomic orbital (18.47%)

His primary areas of study are Density functional theory, Quantum mechanics, Atomic orbital, Computational chemistry and Molecular orbital. His Density functional theory study incorporates themes from Reactivity, Molecule and Ligand. All of his Quantum mechanics and Density matrix, Kohn–Sham equations, Specific orbital energy, Adiabatic theorem and Excited state investigations are sub-components of the entire Quantum mechanics study.

Evert Jan Baerends has included themes like Solvation, Solvent effects, Organic chemistry, Solvent and Lewis acids and bases in his Computational chemistry study. His Molecular orbital research includes elements of Electron density, Ionization energy and Atomic physics. His work focuses on many connections between Time-dependent density functional theory and other disciplines, such as Adiabatic process, that overlap with his field of interest in Excitation.

- The Kohn–Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn–Sham orbital energies (239 citations)
- The Kohn–Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn–Sham orbital energies (239 citations)
- The Kohn–Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn–Sham orbital energies (239 citations)

- Quantum mechanics
- Electron
- Organic chemistry

His primary areas of investigation include Atomic orbital, Quantum mechanics, Atomic physics, Density functional theory and Excited state. His Atomic orbital research is multidisciplinary, incorporating elements of Specific orbital energy, Computational chemistry, Reactivity and Ligand. His primary area of study in Quantum mechanics is in the field of Degenerate energy levels.

He has researched Atomic physics in several fields, including Non-bonding orbital and Molecular orbital. In his research, Time-dependent density functional theory and Polarizability is intimately related to Density matrix, which falls under the overarching field of Density functional theory. His work carried out in the field of Excited state brings together such families of science as Delocalized electron, Condensed matter physics and Ionization energy.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Chemistry with ADF

G.te Velde;F.M. Bickelhaupt;E.J. Baerends;C. Fonseca Guerra.

Journal of Computational Chemistry **(2001)**

9382 Citations

Towards an order-N DFT method

C. Fonseca Guerra;J.G. Snijders;G.te Velde;E.J. Baerends.

Theoretical Chemistry Accounts **(1998)**

4452 Citations

Relativistic regular two‐component Hamiltonians

E. van Lenthe;E. J. Baerends;J. G. Snijders.

Journal of Chemical Physics **(1993)**

4094 Citations

Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure

E.J. Baerends;D.E. Ellis;P. Ros.

principles and practice of constraint programming **(1973)**

3948 Citations

Relativistic total energy using regular approximations

E. van Lenthe;E. J. Baerends;J. G. Snijders.

Journal of Chemical Physics **(1994)**

3005 Citations

Geometry optimizations in the zero order regular approximation for relativistic effects.

Erik van Lenthe;Andreas Ehlers;Evert-Jan Baerends.

Journal of Chemical Physics **(1999)**

2353 Citations

Numerical integration for polyatomic systems

G. te Velde;E. J. Baerends.

Journal of Computational Physics **(1992)**

2250 Citations

Optimized Slater-type basis sets for the elements 1-118.

E. Van Lenthe;E. J. Baerends.

Journal of Computational Chemistry **(2003)**

2228 Citations

Towards an order

C. Fonseca Guerra;J. G. Snijders;G. te Velde;E. J. Baerends.

Theoretical Chemistry Accounts **(1998)**

1733 Citations

The zero order regular approximation for relativistic effects: the effect of spin-orbit coupling in closed shell molecules.

E. van Lenthe;J. G. Snijders;E. J. Baerends.

Journal of Chemical Physics **(1996)**

1620 Citations

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