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Reference|key=hetenyi:jcp:2004|show={{{1}}}| | Reference|key=hetenyi:jcp:2004|show={{{1}}}| | ||
bib=B. Hetényi, F. De Angelis, P. Giannozzi and R. Car, ''Calculation of near-edge x-ray-absorption fine structure at finite temperatures: spectral signatures of hydrogen bond breaking in liquid water '', J. Chem. Phys. 120, 8632 (2004).| | bib=B. Hetényi, F. De Angelis, P. Giannozzi, and R. Car, ''Calculation of near-edge x-ray-absorption fine structure at finite temperatures: spectral signatures of hydrogen bond breaking in liquid water '', J. Chem. Phys. 120, 8632 (2004).| | ||
link=https://doi.org/10.1063/1.1703526 | link=https://doi.org/10.1063/1.1703526 | ||
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Reference|key=meng:prm:2024|show={{{1}}}| | Reference|key=meng:prm:2024|show={{{1}}}| | ||
bib=F. Meng, B. Maurer, F. Peschel, S. Selcuk, M. Hybertsen, X. Qu, C. Vorwerk, C. Draxl, J. Vinson, D. Lu, ''Multicode benchmark on simulated Ti K-edge x-ray absorption spectra of Ti-O compounds'' , Phys. Rev. Materials ''8'', 013801 (2024)| | bib=F. Meng, B. Maurer, F. Peschel, S. Selcuk, M. Hybertsen, X. Qu, C. Vorwerk, C. Draxl, J. Vinson, and D. Lu, ''Multicode benchmark on simulated Ti K-edge x-ray absorption spectra of Ti-O compounds'' , Phys. Rev. Materials ''8'', 013801 (2024)| | ||
link=http://dx.doi.org/10.1103/PhysRevMaterials.8.013801 | link=http://dx.doi.org/10.1103/PhysRevMaterials.8.013801 | ||
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Reference|key=liang:prl:2017|show={{{1}}}| | Reference|key=liang:prl:2017|show={{{1}}}| | ||
bib=Y. Liang, J. Vinson, S. Pemmaraju, W. S. Drisdell, E. L. Shirley, D. Prendergast, ''Accurate X-Ray Spectral Predictions: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory'', Phys. Rev. Lett. ''118'', 096402 (2017)| | bib=Y. Liang, J. Vinson, S. Pemmaraju, W. S. Drisdell, E. L. Shirley, and D. Prendergast, ''Accurate X-Ray Spectral Predictions: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory'', Phys. Rev. Lett. ''118'', 096402 (2017)| | ||
link=http://dx.doi.org/10.1103/PhysRevLett.118.096402 | link=http://dx.doi.org/10.1103/PhysRevLett.118.096402 | ||
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Reference|key=kotliar:rmp:2006|show={{{1}}}| | Reference|key=kotliar:rmp:2006|show={{{1}}}| | ||
bib=G. Kotliar, S. Y. Savrasov, K. Haule, V. S. Oudovenko, O. Parcollet, C. A. Marianetti, ''Electronic structure calculations with dynamical mean-field theory'', Rev. Mod. Phys. ''78'', 865 (2006)| | bib=G. Kotliar, S. Y. Savrasov, K. Haule, V. S. Oudovenko, O. Parcollet, and C. A. Marianetti, ''Electronic structure calculations with dynamical mean-field theory'', Rev. Mod. Phys. ''78'', 865 (2006)| | ||
link=https://link.aps.org/doi/10.1103/RevModPhys.78.865 | link=https://link.aps.org/doi/10.1103/RevModPhys.78.865 | ||
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Reference|key=salpeter:pr:1951|show={{{1}}}| | Reference|key=salpeter:pr:1951|show={{{1}}}| | ||
bib=E. E. Salpeter | bib=E. E. Salpeter and H. A. Bethe, ''A Relativistic Equation for Bound-State Problems'', Phys. Rev. ''84'', 1232-1242 (1951)| | ||
link=http://dx.doi.org/10.1103/PhysRev.84.1232 | link=http://dx.doi.org/10.1103/PhysRev.84.1232 | ||
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Reference|key=hanke:prl:1979|show={{{1}}}| | Reference|key=hanke:prl:1979|show={{{1}}}| | ||
bib=W. Hanke | bib=W. Hanke and L. J. Sham, ''Many-Particle Effects in the Optical Excitations of a Semiconductor'', Phys. Rev. Lett. ''43'', 387-390 (1979)| | ||
link=http://dx.doi.org/10.1103/PhysRevLett.43.387 | link=http://dx.doi.org/10.1103/PhysRevLett.43.387 | ||
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Reference|key=harris:pac:2008|show={{{1}}}| | Reference|key=harris:pac:2008|show={{{1}}}| | ||
bib=R. Harris, E. Becker, S. Cabral de Menezes, P. Granger, R. Hoffman, K. Zilm, ''Further conventions for NMR shielding and chemical shifts (IUPAC Recommendations 2008)'', Pure Appl. Chem. ''80'', 59-84 (2008)| | bib=R. Harris, E. Becker, S. Cabral de Menezes, P. Granger, R. Hoffman, and K. Zilm, ''Further conventions for NMR shielding and chemical shifts (IUPAC Recommendations 2008)'', Pure Appl. Chem. ''80'', 59-84 (2008)| | ||
link=https://doi.org/10.1351/pac200880010059 | link=https://doi.org/10.1351/pac200880010059 | ||
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Reference|key=weil:bolton:2007|show={{{1}}}| | Reference|key=weil:bolton:2007|show={{{1}}}| | ||
bib=J. Weil | bib=J. Weil and J. Bolton, ''Electron Paramagnetic Resonance: Elementary Theory and Practical Applications'', (2007).| | ||
link=https://doi.org/10.1002/0470084987 | link=https://doi.org/10.1002/0470084987 | ||
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Reference|key=laws:bitter:jerschow:2002|show={{{1}}}| | Reference|key=laws:bitter:jerschow:2002|show={{{1}}}| | ||
bib=D. Laws, H.-M. Bitter, A. Jerschow, ''Solid-State NMR Spectroscopic Methods in Chemistry'', (2002).| | bib=D. Laws, H.-M. Bitter, and A. Jerschow, ''Solid-State NMR Spectroscopic Methods in Chemistry'', (2002).| | ||
link=https://doi.org/10.1002/1521-3773(20020902)41:17 | link=https://doi.org/10.1002/1521-3773(20020902)41:17%3C3096::AID-ANIE3096%3E3.0.CO;2-X | ||
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Reference|key=reif:ashbrook:emsley:hong:2021|show={{{1}}}| | Reference|key=reif:ashbrook:emsley:hong:2021|show={{{1}}}| | ||
bib=, B. Reif, S. Ashbrook, L. Emsley, M. Hong ''Solid-state NMR spectroscopy'', (2021).| | bib=, B. Reif, S. Ashbrook, L. Emsley, and M. Hong ''Solid-state NMR spectroscopy'', (2021).| | ||
link=https://doi.org/10.1038/s43586-020-00002-1 | link=https://doi.org/10.1038/s43586-020-00002-1 | ||
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Reference|key=neumann:mp:1996|show={{{1}}}| | |||
bib=R. Neumann, R. H. Nobes, and N. C. Handy, ''Exchange functionals and potentials'', Mol. Phys. '''87''', 1 (1996).| | |||
link=https://doi.org/10.1080/00268979600100011 | |||
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Latest revision as of 11:18, 25 February 2025
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