Adaptive integration grids in instanton theory improve the numerical accuracy at low temperature

Journal of Chemical Physics

Volumn 134, Issue 18, 2011, Pages

  Rommel, Judith B ^a   Kästner, Johannes ^a  

^a UNIVERSITY OF STUTTGART   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; REACTION RATES;

ADAPTIVE INTEGRATION; COMPUTATIONAL COSTS; COMPUTATIONAL EFFORT; CONFIGURATION SPACE; INSTANTON THEORY; NUMERICAL ACCURACY; UNIFORM DISTRIBUTION; VERY LOW TEMPERATURES;

DENSITY FUNCTIONAL THEORY;

EID: 80053396333     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3587240     Document Type: Article

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