https://www.quanty.org/ 2026-04-26T18:40:19+00:00 https://www.quanty.org/ https://www.quanty.org/_media/wiki/dokuwiki.svg text/html 2026-04-21T09:05:17+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.quanty.org/forum/data/2026/change_of_basis?rev=1776762317&do=diff Change of basis asked by Victor Porée (2026/04/21 11:05) Hi, I am looking for a way to express eigenstates from a list of inital/final XAS states (Cr 2p3d) on the basis of pure |J,jz> for the 2p and |L,S,lz,sz> for the 3d. Best, text/html 2026-03-12T11:03:41+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.quanty.org/forum/data/2026/dsyev_failed_in_compactmatrixeigensystem?rev=1773313421&do=diff dsyev failed in CompactMatrixEigensystem asked by Michael L. Baker (2026/03/12 12:03) Dear Maurits, For larger RIXS calculations I encounter the following error within ResonantSpectra using Dense Methods: Intel MKL ERROR: Parameter 8 was incorrect on entry to DSYEV. dsyev failed in CompactMatrixEigensystem with info value -8 While working on matrix Coulomb Operator continue diagonalization with dsyvd text/html 2026-03-12T05:03:52+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.quanty.org/forum/data/2026/respes_in_quanty?rev=1773291832&do=diff RESPES in quanty asked by ted trewick (2026/03/12 05:43) I would like to calculate resonant X-ray photoemission spectra in Quanty. The resonance in question is between a normal XPS process and and auger-like process, e.g. for the d-f resonance of Er: \[4d^{10}4f^{11} \xrightarrow{h\nu} 4d^{10}4f^{10}\] \[4d^{10}4f^{11} \xrightarrow{h\nu} 4d^{9}4f^{12}\xrightarrow{e^2/r} 4d^{10}4f^{10}\] The first process is trivial in quanty: