Derivation of a true (t → 0+) quantum transition-state theory. I. Uniqueness and equivalence to ring-polymer molecular dynamics transition-state-theory

Journal of Chemical Physics

Volumn 138, Issue 8, 2013, Pages

  Hele, Timothy J H ^a   Althorpe, Stuart C ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR DYNAMICS; STATISTICAL MECHANICS;

COHERENCE EFFECTS; DIVIDING SURFACES; EQUIVALENCE TO; PATH-INTEGRAL; QUANTUM RATES; QUANTUM STATISTICS; TIME CORRELATION FUNCTIONS; TRANSITION STATE THEORIES;

QUANTUM THEORY;

EID: 84874828577     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4792697     Document Type: Article

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