2023 - Research.com Chemistry in Netherlands Leader Award
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.
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.
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.
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.
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Chemistry with ADF
G.te Velde;F.M. Bickelhaupt;E.J. Baerends;C. Fonseca Guerra.
Journal of Computational Chemistry (2001)
Towards an order-N DFT method
C. Fonseca Guerra;J.G. Snijders;G.te Velde;E.J. Baerends.
Theoretical Chemistry Accounts (1998)
Relativistic regular two‐component Hamiltonians
E. van Lenthe;E. J. Baerends;J. G. Snijders.
Journal of Chemical Physics (1993)
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)
Relativistic total energy using regular approximations
E. van Lenthe;E. J. Baerends;J. G. Snijders.
Journal of Chemical Physics (1994)
Geometry optimizations in the zero order regular approximation for relativistic effects.
Erik van Lenthe;Andreas Ehlers;Evert-Jan Baerends.
Journal of Chemical Physics (1999)
Numerical integration for polyatomic systems
G. te Velde;E. J. Baerends.
Journal of Computational Physics (1992)
Optimized Slater-type basis sets for the elements 1-118.
E. Van Lenthe;E. J. Baerends.
Journal of Computational Chemistry (2003)
Towards an order
C. Fonseca Guerra;J. G. Snijders;G. te Velde;E. J. Baerends.
Theoretical Chemistry Accounts (1998)
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)
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