Two-photon absorption cross sections within equation-of-motion coupled-cluster formalism using resolution-of-the-identity and Cholesky decomposition representations: Theory, implementation, and benchmarks

Journal of Chemical Physics

Volumn 142, Issue 6, 2015, Pages

  Nanda, Kaushik D ^a   Krylov, Anna I ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHROMOPHORES; COMPUTATION THEORY; EXCITED STATES; NUMERICAL METHODS; PHOTONS; PROTEINS; TWO PHOTON PROCESSES; WAVE FUNCTIONS;

ALGEBRAIC DIAGRAMMATIC CONSTRUCTIONS; CONFIGURATION INTERACTIONS; ELECTRON REPULSION INTEGRALS; ELECTRONICALLY EXCITED STATE; EQUATION OF MOTION COUPLED CLUSTERS; EXPECTATION VALUE APPROACH; TWO PHOTON ABSORPTION (2PA); TWO-PHOTON ABSORPTION CROSS SECTION;

EQUATIONS OF MOTION;

EID: 84923824092     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4907715     Document Type: Article

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