On solving the master equation in spatially periodic systems

Journal of Chemical Physics

Volumn 137, Issue 3, 2012, Pages

  Kolokathis, Panagiotis D ^a   Theodorou, Doros N ^a  

^a NATIONAL TECHNICAL UNIVERSITY OF ATHENS   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

ALTERNATIVE METHODS; ATOMIC LEVELS; COMPUTATIONAL REQUIREMENTS; COMPUTATIONAL SAVINGS; CONSTANT MATRIX; DIAGONALIZATIONS; DIFFUSION TENSOR; DIRECT MOLECULAR DYNAMICS; DYNAMICAL PHENOMENA; EIGENVALUES AND EIGENVECTORS; EULER METHOD; KINETIC MONTE CARLO SIMULATION; KMC SIMULATIONS; LOW TEMPERATURES; MASTER EQUATIONS; NUMERICAL SOLUTION; PERIODIC BOUNDARY CONDITIONS; RECURSIVE SCHEME; REDUCTION OF DIMENSIONALITY; SILICALITE-1; SPATIALLY PERIODIC SYSTEMS; TIME-DEPENDENT; TRANSITION STATE; UNIT CELLS;

COMPUTATIONAL CHEMISTRY; EIGENVALUES AND EIGENFUNCTIONS; MOLECULAR DYNAMICS; SILICATE MINERALS; XENON;

RATE CONSTANTS;

EID: 84864226352     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4733291     Document Type: Article

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