MR-SDCI study on high-energy electron and X-ray scattering cross-sections of linear molecules
作者： Armin Schweig , Thomas Müller , Hermann Meyer
DOI: 10.1080/00268979650025632
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摘要: High-energy electron and X-ray scattering cross-sections of O2, F2, CO CO2 have been calculated within the framework first Born approximation from MR-SDCI wavefunctions recovering up to 92% estimated correlation energy. In contrast fair agreement found for cross-sections, comparison with available experimental data shows large deviations in case scattering. Possible causes observed discrepancies are discussed.
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