WFOT: A Wave Function Overlap Tool between Single- and Multi-Reference Electronic Structure Methods for Spectroscopy Simulation

Author:

Loreti Alessandro1ORCID,Freixas Victor Manuel2ORCID,Avagliano Davide1ORCID,Segatta Francesco1ORCID,Song Huajing3ORCID,Tretiak Sergei34ORCID,Mukamel Shaul2ORCID,Garavelli Marco1ORCID,Govind Niranjan56ORCID,Nenov Artur1ORCID

Affiliation:

1. Dipartimento di Chimica Industriale “Toso Montanari”, University of Bologna, Via Piero Gobetti 85, Bologna 40129, Italy

2. Department of Chemistry and Department of Physics and Astronomy, University of California, Irvine, California 92697, United States

3. Physics and Chemistry of Materials, Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

4. Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

5. Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States

6. Department of Chemistry, University of Washington, Seattle, Washington 98195, United States

Funder

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

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