tspejo
tspejo
Dear Gordontk Yes we have and there are already now some parallell versions that have not yet been released. Per Jönsson Per Jönsson ________________________________ From: gordontk ***@***.***> Sent: Wednesday, August...
Dear Anja The transverse photon interaction is discussed in I.P. Grant, Relativistic Quantum Theory of Atoms and Molecules, chapter 4. See also https://iopscience.iop.org/article/10.1088/0022-3700/13/14/007/meta where it is referred to as the...
Hi Martin, Yes, rcsfinteract keeps all CSFs that interacts with CSFs in the multireference. If you have only one CSF in the MR you will get CSFs that interacts with...
Dear Yenoc The fourth choice allows you to increase the effective nuclear charge for the screened hydrogenic functions. Increase the effective nuclear charge until the generated orbitals overlap the region...
Hi Jonathan, Contact Jörgen Ekman. He has the code you are looking for. ***@***.*** Best wishes Per ________________________________ From: Jonathan Dean ***@***.***> Sent: Wednesday, March 12, 2025 2:40 PM To:...