X-ray absorption spectroscopy by means of Lanczos-chain driven damped coupled cluster response theory
A novel method by which to calculate the near edge X-rayabsorption fine structure region of the X-ray absorption spectrum has been derived and implemented. By means of damped coupled cluster theory at coupled cluster levels CCS, CC2, CCSD and CCSDR(3), the spectra of neon and methane have been inves...
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| Format: | Others |
| Language: | English |
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Linköpings universitet, Institutionen för fysik, kemi och biologi
2011
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| Online Access: | http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-72460 |