Fourier-synthesis approach for static charge-density reconstruction from theoretical structure factors of CaB6

Bergner, C.; Grin, Y.; Wagner, F.R.

doi:10.1107/S2053273323002644

Acta Crystallographica Section A
Acta Crystallographica
Section A FOUNDATIONS AND ADVANCES

IUCr IT WDC

home archive editors for authors for readers submit subscribe open access

view article

Figure 14
Fourier synthesis of all-ED Laplacian for CaB₆ using method Lan1D with exponents p = 2.25, 2.50, 2.75 and 3.0. (a)–(c) Norm deviations δL_n¹, δL_n² and Δ_max, respectively, of all-ED Laplacian $[{\nabla ^2}]$ S_n_,tot(r); left panel, total u.c. region r_u.c.; right panel, valence region r_val.

FOUNDATIONS
ADVANCES

ISSN: 2053-2733

Volume 79| Part 3| May 2023| Pages 246-272

https://doi.org/10.1107/S2053273323002644

Open

access

Follow Acta Cryst. A

Search IUCr Journals		doi		Advanced search
Author		volume	page