Accurate computation of quantum densities of states and RRKM rate constants for large polyatomic molecules: The STAIR method

Journal of Chemical Physics

Volumn 110, Issue 17, 1999, Pages 8246-8253

  Wadi, Hicham ^a  

^a WEIZMANN INSTITUTE OF SCIENCE   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

ACCURATE COMPUTATIONS; INTEGRATED DENSITY; LARGE POLYATOMIC MOLECULES; MICROCANONICAL DENSITY; PARTITION FUNCTIONS; QUANTUM MECHANICAL; QUANTUM MONTE CARLO METHODS; VIBRATIONAL DEGREES OF FREEDOM;

ELECTRONIC DENSITY OF STATES; MECHANICS; MONTE CARLO METHODS; QUANTUM THEORY; RATE CONSTANTS;

MOLECULES;

EID: 0001328496     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478737     Document Type: Article

References (1)

1. W. F. Polik, D. R. Guyer, W. H. Miller, and C. B. Moore, J. Chem. Phys. 92, 3471 (1990).