Nanoplasmonics simulations at the basis set limit through completeness-optimized, local numerical basis sets

Journal of Chemical Physics

Volumn 142, Issue 9, 2015, Pages

  Rossi, Tuomas P ^a   Lehtola, Susi ^a,b   Sakko, Arto ^a   Puska, Martti J ^a   Nieminen, Risto M ^a  

^a AALTO UNIVERSITY   (Finland)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; NANOPARTICLES; QUANTUM CHEMISTRY; SILVER;

ATOMIC-ORBITAL BASIS; COMPLETE BASIS SET LIMIT; EXCHANGE-CORRELATION FUNCTIONALS; GAUSSIAN-TYPE ORBITALS; NUMERICAL BASIS SETS; OPTIMIZATION SCHEME; PHOTOABSORPTION SPECTRA; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

DENSITY FUNCTIONAL THEORY;

COPPER; GOLD; METAL NANOPARTICLE; SILVER;

CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; NANOTECHNOLOGY;

COMPUTER SIMULATION; COPPER; GOLD; METAL NANOPARTICLES; MODELS, CHEMICAL; NANOTECHNOLOGY; SILVER;

EID: 84924388718     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4913739     Document Type: Article

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