is a program for high precision paramagnetic ions energy levels calculations based on crystal field multipole method (CFMM) and the method of irreducible tensor operators. It allows to calculate the electronic structure of all elements with unfilled f-shells, including lanthanides and actinides in crystalline hosts and nano-structures. It can be used in scientific research, educational institutions, industry (laser materials, chemical analysis etc).
-
Notifications
You must be signed in to change notification settings - Fork 1
SPECTRA is a program for high precision paramagnetic ions energy levels calculations based on crystal field multipole method (CFMM) and the method of irreducible tensor operators. It allows to calculate the electronic structure of all elements with unfilled f-shells, including lanthanides and actinides in crystalline hosts and nano-structures. I…
vzhorin/Spectra
Folders and files
Name | Name | Last commit message | Last commit date | |
---|---|---|---|---|
Repository files navigation
About
SPECTRA is a program for high precision paramagnetic ions energy levels calculations based on crystal field multipole method (CFMM) and the method of irreducible tensor operators. It allows to calculate the electronic structure of all elements with unfilled f-shells, including lanthanides and actinides in crystalline hosts and nano-structures. I…
Resources
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published