Finite-size effects and energy alignment in molecular XANES under periodic boundary conditions: A systematic comparison of core-hole treatments.
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| Title: | Finite-size effects and energy alignment in molecular XANES under periodic boundary conditions: A systematic comparison of core-hole treatments. |
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| Authors: | Fujikata, Yu1,2 fujikata@iis.u-tokyo.ac.jp, Muramatsu, Yasuji3, Mizoguchi, Teruyasu1 teru@iis.u-tokyo.ac.jp |
| Source: | Journal of Chemical Physics. 6/7/2026, Vol. 164 Issue 21, p1-12. 12p. |
| Database: | Academic Search Ultimate |
| ISSN: | 00219606 |
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| DOI: | 10.1063/5.0329032 |
