Massively-parallel electron dynamics calculations in real-time and real-space: Toward applications to nanostructures of more than ten-nanometers in size

Journal of Computational Physics

Volumn 265, Issue , 2014, Pages 145-155

  Noda, Masashi ^a   Ishimura, Kazuya ^a   Nobusada, Katsuyuki ^a   Yabana, Kazuhiro ^b   Boku, Taisuke ^b  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b UNIVERSITY OF TSUKUBA   (Japan)

Author keywords

Electron dynamics in nanostructures; Grid based finite difference method; Massive parallelization; Time dependent density functional theory

Indexed keywords

ABSORPTION SPECTROSCOPY; APPLICATION PROGRAMS; COMPUTATION THEORY; COMPUTATIONAL CHEMISTRY; DENSITY FUNCTIONAL THEORY; DYNAMICS; EIGENVALUES AND EIGENFUNCTIONS; FINITE DIFFERENCE METHOD; QUANTUM CHEMISTRY;

ELECTRON DYNAMIC IN NANOSTRUCTURE; ELECTRON DYNAMICS; FINITE-DIFFERENCE METHODS; GRID-BASED; GRID-BASED FINITE DIFFERENCE METHOD; MASSIVE PARALLELIZATION; MASSIVELY PARALLELS; PARALLELIZATIONS; REAL- TIME; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

NANOSTRUCTURES;

EID: 84894371811     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2014.02.006     Document Type: Article

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