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Colloids and surfaces. A, Physicochemical and engineering aspects, ISSN 0927-7757, 2013, Volume 437, pp. 3 - 32
Journal Article
2009, 1. Aufl., ISBN 9780470373170, xii, 238
Demonstrates how anyone in math, science, and engineering can master DFT calculationsDensity functional theory (DFT... 
Quantum chemistry | Density functionals | Mathematical physics | Condensed Matter | Physics | SCIENCE
Book
2006, Condensed matter physics, nanoscience and mesoscopic physics, ISBN 0521815916, Volume 9780521815918, xxii, 348
.... It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods... 
Density functionals | Condensed matter | Computer simulation | Hartree-Fock approximation
Book
physica status solidi (b), ISSN 0370-1972, 2012, Volume 249, Issue 2, pp. 237 - 244
Journal Article
Wiley interdisciplinary reviews. Computational molecular science, ISSN 1759-0876, 2012, Volume 2, Issue 3, pp. 456 - 465
In this paper, we review the foundations of the density‐functional tight‐binding (DFTB) method. The method is based on the density... 
IMPLEMENTATION | SIMULATIONS | CHEMISTRY, MULTIDISCIPLINARY | MATHEMATICAL & COMPUTATIONAL BIOLOGY | Binding | Orbitals | Methodology | Matrix methods | Neutral atoms | Density | Electronic structure | Foundations | Mathematical analysis | Theories | Density functional theory | Interactions | Atomic structure
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9084, 2016, Volume 18, Issue 31, pp. 20905 - 20925
Journal Article
Science (American Association for the Advancement of Science), ISSN 1095-9203, 2017, Volume 355, Issue 6320, pp. 49 - 52
The theorems at the core of density functional theory (DFT) state that the energy of a many-electron system in its ground state is fully defined by its electron density distribution... 
PARAMETRIZATION | APPROXIMATIONS | THERMOCHEMISTRY | MULTIDISCIPLINARY SCIENCES | EXCHANGE-CORRELATION FUNCTIONALS | Density functionals | Usage | Methods | Chemical research | Density functional theory | Fittings | Accuracy | Theorems | Functionals | Mathematical analysis | Electron density | Density
Journal Article
Journal of physics. B, Atomic, molecular, and optical physics, ISSN 1361-6455, 2019, Volume 52, Issue 24, p. 245003
...?Sham method and the density functional perturbation theory. Difference between the known EDF and the exact one is treated as the first-order perturbation... 
ACCURATE | NOBEL LECTURE | NUCLEAR | GROUND-STATE | GENERALIZED-GRADIENT-APPROXIMATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ELECTRONIC-STRUCTURE CALCULATIONS | inverse Kohn?Sham method | INSULATORS | WAVE-FUNCTIONS | EXCHANGE-CORRELATION POTENTIALS | density functional perturbation theory | density functional theory | noble-gas atoms | OPTICS | ENERGIES
Journal Article