Ring-polymer molecular dynamics rate-theory in the deep-tunneling regime: Connection with semiclassical instanton theory

Journal of Chemical Physics

Volumn 131, Issue 21, 2009, Pages

  Richardson, Jeremy O ^a   Althorpe, Stuart C ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ASYMMETRIC BARRIERS; ASYMMETRIC REACTION; BREAK DOWN; CLASSICAL TRANSITION; DIVIDING SURFACES; FINITE DIFFERENCE APPROXIMATIONS; GENERAL TRENDS; INSTANTON THEORY; INSTANTONS; LOW TEMPERATURES; NUMERICAL TESTS; ONE-DIMENSIONAL MODEL; PERIODIC ORBITS; POLYMER PHASE; POTENTIAL SURFACES; RING POLYMERS; TRANSITION STATE; TUNNELING RATES; TUNNELING REGIME;

MOLECULAR DYNAMICS; PHASE SPACE METHODS; POLYMERS; REACTION RATES; WIND TUNNELS;

SURFACE CHEMISTRY;

EID: 72049128329     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3267318     Document Type: Article

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