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Reference|key=yazyev:prb:2005|show={{{1}}}| | Reference|key=yazyev:prb:2005|show={{{1}}}| | ||
bib=O. V. Yazyev, I. Tavernelli, L. Helm, and U. R. Roethlisberger, ''Core spin-polarization correction in pseudopotential-based electronic structure calculations'', Phys. Rev. B 71, 115110 (2006).| | bib=O. V. Yazyev, I. Tavernelli, L. Helm, and U. R. Roethlisberger, ''Core spin-polarization correction in pseudopotential-based electronic structure calculations'', Phys. Rev. B '''71''', 115110 (2006).| | ||
link=https://doi.org/10.1103/PhysRevB.71.115110 | link=https://doi.org/10.1103/PhysRevB.71.115110 | ||
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Reference|key=altman:prl:2024|show={{{1}}}| | Reference|key=altman:prl:2024|show={{{1}}}| | ||
bib=Altman, A. R. and Kundu, S. and da Jornada, F. H., ''Mixed Stochastic-Deterministic Approach for Many-Body Perturbation Theory Calculations'', Phys. Rev. Lett. 132, 086401 (2024).| | bib=Altman, A. R. and Kundu, S. and da Jornada, F. H., ''Mixed Stochastic-Deterministic Approach for Many-Body Perturbation Theory Calculations'', Phys. Rev. Lett. '''132''', 086401 (2024).| | ||
link=https://doi.org/10.1103/PhysRevLett.132.086401 | link=https://doi.org/10.1103/PhysRevLett.132.086401 | ||
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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=Prendergasst:prl:2006|show={{{1}}}| | Reference|key=Prendergasst:prl:2006|show={{{1}}}| | ||
bib=D. Prendergasst and G. Galli, ''X-Ray Absorption Spectra of Water from First Principles Calculations'', Phys. Rev. Lett. 96, 215502 (2006).| | bib=D. Prendergasst and G. Galli, ''X-Ray Absorption Spectra of Water from First Principles Calculations'', Phys. Rev. Lett. '''96''', 215502 (2006).| | ||
link=https://doi.org/10.1103/PhysRevLett.96.215502 | link=https://doi.org/10.1103/PhysRevLett.96.215502 | ||
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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, and 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, 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)| | 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, and 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 and H. A. Bethe, ''A Relativistic Equation for Bound-State Problems'', Phys. Rev. ''84'', 1232-1242 (1951)| | 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 and L. J. Sham, ''Many-Particle Effects in the Optical Excitations of a Semiconductor'', Phys. Rev. Lett. ''43'', 387-390 (1979)| | 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, and 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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Revision as of 11:34, 26 February 2025
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