Simulations of minerals using density-functional theory based on atomic orbitals for linear scaling

Geahča maid

• eScience for molecular-scale simulations and the eMinerals project.
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  Almmustuhtton: (2009)
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  Dahkki: 426084 Greenwood, Norman Neill
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• A Simple Technique to Ascertain the Phase Relationships between the Various Atomic Orbitals in Each Pi-Molecular Orbital for the Linear Polyenes
  Dahkki: Khan, Mohamad Niyaz
  Almmustuhtton: (1990)
• Atomic-scale strain manipulation of a charge density wave
  Dahkki: Gao, S, et al.
  Almmustuhtton: (2018)
• Performance of local orbital basis sets in the self-consistent Sternheimer method for dielectric matrices of extended systems
  Dahkki: Huebener, H, et al.
  Almmustuhtton: (2012)