Finite-difference method for the calculation of X-ray spectroscopies
Joly, Y.,
Ramos, A. Y. and
Bunău, O.,
International Tables for Crystallography
(2022).
Early view chapter
[ doi:10.1107/S1574870722001598 ]
with spin–orbit effect and quadrupolar orbital ordering; dashed line, the same simulation but without orbital ordering.
References
Benfatto, M.,
Joly,
Y. & Natoli, C. R. (1999). Phys. Rev. Lett. 83, 636–639 ...
The FDMNES code
Bunău, O.,
Ramos, A. Y. and
Joly, Y.,
International Tables for Crystallography
(2021).
Early view chapter
[ doi:10.1107/S1574870720003304 ]
U. & Hedin, L. (1972). J. Phys. C Solid State Phys. 5, 1629–1642. Google Scholar
Bourke, J. D. (2021). Int. Tables Crystallogr. I . In the press. Google Scholar
Bourke, J. D., Chantler, C. T. &
Joly,
Y. (2016). J ...
Finite-difference method for the calculation of X-ray spectroscopies
Joly, Y.,
Ramos, A. Y. and
Bunău, O.,
International Tables for Crystallography
(2024).
Early view chapter
[ doi:10.1107/S1574870722001598 ]
with spin–orbit effect and quadrupolar orbital ordering; dashed line, the same simulation but without orbital ordering.
References
Benfatto, M.,
Joly,
Y. & Natoli, C. R. (1999). Phys. Rev. Lett. 83, 636–639 ...
The FDMNES code
Bunău, O.,
Ramos, A. Y. and
Joly, Y.,
International Tables for Crystallography
(2024).
Early view chapter
[ doi:10.1107/S1574870720003304 ]
U. & Hedin, L. (1972). J. Phys. C Solid State Phys. 5, 1629–1642. Google Scholar
Bourke, J. D. (2024). Int. Tables Crystallogr. I, ch. 6.7, 758–763
. Google Scholar
Bourke, J. D., Chantler, C. T. &
Joly,
Y. (2016 ...
