Evaluation of exchange-correlation energy, potential, and stress
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- Type
- article
- Published
- 2001-04-10
- Cited by
- 25
- References
- 4
- Access
- Open access
- OpenAlex
- https://openalex.org/W1976568877
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:119516332
Keywords
Consistency (knowledge bases), Tensor (intrinsic definition), Grid, Space (punctuation), Energy (signal processing)
References
Cited by
- Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach.
- Plato: A localised orbital based density functional theory code
- Theoretical study of the structural and electronic properties of aggregates, wires, and bulk phases formed from M@Si16 superatoms (M = Sc−, Ti, V+)
- Planar and cagelike structures of gold clusters: Density-functional pseudopotential calculations
- Car–Parrinello molecular dynamics using real space wavefunctions
- Relative stability of Sin and SinSc- clusters in the range n = 14–18
- First principles study of CO adsorption–CO2 desorption mechanisms on oxidized doped‐gold cationic clusters MAun O (M = Ti, Fe; n = 1,4–7; m = 1–2)
- Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
- Large-scale density-functional calculations on silicon divacancies
- DFT based study of Aun (4–7) clusters: new stabilized geometries
- Symmetry preserving optimised effective potential theory (application to atoms)
- Trends in the structure and bonding of neutral and charged noble metal clusters
- A simplified implementation of van der Waals density functionals for first-principles molecular dynamics applications.
- Trends in the structure and bonding of noble metal clusters
- Theoretical study of O2 and CO adsorption on Aun clusters (n = 5–10)
- Some questions on the exchange contribution to the effective potential of the Kohn–Sham theory
- Trends in the bonding of the first‐row transition metal compounds: V(001) surface, TM‐oxide and nitride molecules, and AunTi (2≤n≤7) clusters
- STRUCTURAL PROPERTIES OF BIMETALLIC CLUSTERS FROM DENSITY FUNCTIONAL CALCULATIONS
- Optical response of silver clusters and their hollow shells from linear-response TDDFT
- DENSITY FUNCTIONAL STUDIES OF NOBLE METAL CLUSTERS. ADSORPTION OF O2 AND CO ON GOLD AND SILVER CLUSTERS
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