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- W2022149613 endingPage "134113" @default.
- W2022149613 startingPage "134113" @default.
- W2022149613 abstract "The previously developed active-space coupled-cluster (CC) and equation-of-motion (EOM) CC methods are extended to radicals and other open-shell systems by combining them with the electron attached (EA) and ionized (IP) EOMCC approaches. As illustrated by the calculations for the CH and OH radicals, the resulting EA-EOMCCSDt and IP-EOMCCSDt theories are capable of providing a highly accurate description of the electronic spectra of radical systems, including excited states displaying a manifestly multideterminantal nature, with the low costs that are not much greater that those characterizing the standard EOMCC singles and doubles method." @default.
- W2022149613 created "2016-06-24" @default.
- W2022149613 creator A5020767066 @default.
- W2022149613 creator A5028771951 @default.
- W2022149613 creator A5036199301 @default.
- W2022149613 date "2005-10-01" @default.
- W2022149613 modified "2023-10-16" @default.
- W2022149613 title "Active-space equation-of-motion coupled-cluster methods for excited states of radicals and other open-shell systems: EA-EOMCCSDt and IP-EOMCCSDt" @default.
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