Half or full core hole in density functional theory X-ray absorption spectrum calculations of water?

Matteo Cavalleri, Michael Odelius, Dennis Nordlund, Anders Nilsson, Lars G. M. Pettersson
  • Physical Chemistry Chemical Physics, January 2005, Royal Society of Chemistry
  • DOI: 10.1039/b505723j

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http://dx.doi.org/10.1039/b505723j

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