Automatic Active Space Selection for Calculating Electronic Excitation Energies Based on High-Spin Unrestricted Hartree–Fock Orbitals

Authors

Keywords

Journal

Volume 15, Issue 10, Pages 5308-5318

Publisher

American Chemical Society (ACS)

Online

2019-08-15

DOI

10.1021/acs.jctc.9b00535

Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.

Explore

Discuss science. Find collaborators. Network.

Join a conversation