Dynamic hyperpolarizability calculations of large systems: The linear-scaling divide-and-conquer approach

Journal of Chemical Physics

Volumn 136, Issue 8, 2012, Pages

  Kobayashi, Masato ^a,b   Touma, Tsuguki ^a   Nakai, Hiromi ^a,c  

^a WASEDA UNIVERSITY   (Japan)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION METHODS; COMPUTATIONAL TIME; DIVIDE AND CONQUER; DIVIDE-AND-CONQUER APPROACH; ELECTRONIC EXCITATION ENERGY; FIRST HYPERPOLARIZABILITIES; HYPER-POLARIZABILITY; LARGE SYSTEM; LOSS OF ACCURACY; MOLECULAR EXCITATIONS; NUMERICAL EVALUATIONS; ORGANIC CHAINS; POLARIZABILITIES; POLYVINYLIDENE FLUORIDES; SELF-CONSISTENT FIELD; SINGULAR FREQUENCIES; TIME-DEPENDENT;

CHAINS; EXCITATION ENERGY;

COMPUTER SIMULATION;

EID: 84857848804     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3687341     Document Type: Article

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