Author(s): Wei Chen, Xifan Wu, and Roberto Car
The x-ray absorption spectra of water and ice are calculated with a many-body approach for electron-hole excitations. The experimental features, including the effects of temperature change in the liquid, are reproduced from configurations generated by ab initio molecular dynamics. The spectral diffe...
[Phys. Rev. Lett. 105, 017802] Published Wed Jun 30, 2010
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