Density functionals.
Overview
| Works: | 43 works in 15 publications in 15 languages | |
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Titles
Contributions within density functional theory with applications in chemical reactivity theory and electronegativity /
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Recent developments and applications of modern density functional theory /
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Electronic structure calculations for solids and molecules : = theory and computational methods /
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A new-generation density functional = towards chemical accuracy for chemistry of main group elements /
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Time-dependent density-functional theory : = concepts and applications /
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Electronic Structure Methods for Complex Materials = The orthogonalized linear combination of atomic orbitals /
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Density functional theory = modeling, mathematical analysis, computational methods, and applications /
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Density-functional theory for electrons = basic theory and new formalism /
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Principles and applications of density functional theory in inorganic chemistry II /
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Principles and applications of densitiy functional theory in inorganic chemistry I
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Principles and applications of density functional theory in inorganic chemistry II
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Density functional theory : = an advanced course / Eberhard Engel, Reiner M. Dreizler.
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Optimised projections for the Ab initio simulation of large and strongly correlated systems
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Quantum Monte Carlo programming : = for atoms, molecules, clusters, and solids /
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Non-linear optical response in atoms, molecules and clusters = an explicit time dependent density functional approach /
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Conduction in carbon nanotube networks = large-scale theoretical simulations /
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