This is not the latest version of this item. The latest version can be found here.
Natural Transition Orbital Calculations in the RASSI module of OpenMolcas
Authors
Bao, Jie, J
Truhlar, Donald, G.
Gagliardi, Laura
Published Date
Publisher
Abstract
This is a detailed explanation of calculating natural transition orbitals in the RASSI module in OpenMolcas. The theory is explained and the keyword used in the code is presented.
Keywords
Description
Related to
item.page.replaces
License
Collections
Series/Report Number
Funding Information
item.page.isbn
DOI identifier
Previously Published Citation
Other identifiers
Suggested Citation
Content distributed via the University Digital Conservancy may be subject to additional license and use restrictions applied by the depositor. By using these files, users agree to the Terms of Use. Materials in the UDC may contain content that is disturbing and/or harmful. For more information, please see our statement on harmful content in digital repositories.