Fast Shepard interpolation on graphics processing units: Potential energy surfaces and dynamics for H CH4 → H2 CH3

Journal of Chemical Physics

Volumn 138, Issue 16, 2013, Pages

  Welsch, Ralph ^a   Manthe, Uwe ^a  

^a BIELEFELD UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONICITIES; GRAPHICS PROCESSING UNIT; GRAPHICS PROCESSING UNITS; HARTREE APPROACH; ORDERS OF MAGNITUDE; QUANTUM TRANSITIONS; THERMAL RATE CONSTANT; TRANSITION STATE;

COMPUTER GRAPHICS; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; RATE CONSTANTS;

PROGRAM PROCESSORS;

HYDROGEN; METHANE;

ARTICLE; CHEMISTRY; QUANTUM THEORY; SURFACE PROPERTY;

HYDROGEN; METHANE; QUANTUM THEORY; SURFACE PROPERTIES;

EID: 84877259184     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4802059     Document Type: Article

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