Model protein excited states: MRCI calculations with large active spaces vs CC2 method | Zendy

Valérie Brenner | Zendy; Thibaut Véry | Zendy; Michael Schmidt | Zendy; Mark S. Gordon | Zendy; Sophie Hoyau | Zendy; Nadia Ben Amor | Zendy

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Model protein excited states: MRCI calculations with large active spaces vs CC2 method

Author(s) -

Valérie Brenner,

Thibaut Véry,

Michael Schmidt,

Mark S. Gordon,

Sophie Hoyau,

Nadia Ben Amor

Publication year - 2021

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/5.0048146

Subject(s) - complete active space , configuration interaction , excited state , wave function , coupled cluster , space (punctuation) , full configuration interaction , limit (mathematics) , excitation , perturbation theory (quantum mechanics) , configuration space , chemistry , quantum mechanics , statistical physics , atomic physics , computational chemistry , physics , mathematics , computer science , density functional theory , mathematical analysis , basis set , molecule , operating system

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