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Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher. Some full text articles may not yet be available without a charge during the embargo (administrative interval).
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COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin–Orbit Couplings and Dynamics

https://doi.org/10.1021/acs.jpca.5c02047

Plasser, Felix; Lischka, Hans; Shepard, Ron; Szalay, Péter G; Pitzer, Russell M; Alves, Rodolpho_L R; Aquino, Adelia_J A; Autschbach, Jochen; Barbatti, Mario; Carvalho, Jhonatas R; et al (July 2025, The Journal of Physical Chemistry A)

Free, publicly-accessible full text available July 17, 2026
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry

https://doi.org/10.1063/1.5144267

Lischka, Hans; Shepard, Ron; Müller, Thomas; Szalay, Péter G.; Pitzer, Russell M.; Aquino, Adelia J.; Araújo do Nascimento, Mayzza M.; Barbatti, Mario; Belcher, Lachlan T.; Blaudeau, Jean-Philippe; et al (April 2020, The Journal of Chemical Physics)

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