Semiclassical initial value representation treatment of a hydrogen bonded complex of rigid water molecules from a single trajectory in Cartesian coordinates

2007 ◽  
Vol 127 (14) ◽  
pp. 144306 ◽  
Author(s):  
Bilkiss B. Issack ◽  
Pierre-Nicholas Roy
Keyword(s):  
Water Molecules ◽  
Initial Value ◽  
Cartesian Coordinates ◽  
Initial Value Representation ◽  
Value Representation ◽  
Hydrogen Bonded

Rate constants and isotope effects for the CH3+H2→CH4+H reaction by an approximate semiclassical initial-value representation method

2001 ◽  
Vol 341 (3-4) ◽  
pp. 351-357 ◽  
Author(s):  
Antonio Fernández-Ramos ◽  
Emilio Martı́nez-Núñez ◽  
Zorka Smedarchina ◽  
Saulo A. Vázquez
Keyword(s):  
Rate Constants ◽  
Isotope Effects ◽  
Initial Value ◽  
Initial Value Representation ◽  
Representation Method ◽  
Value Representation

A study of the semiclassical initial value representation at short times

2002 ◽  
Vol 116 (14) ◽  
pp. 5925-5932 ◽  
Author(s):  
Joachim Ankerhold ◽  
Markus Saltzer ◽  
Eli Pollak
Keyword(s):  
Initial Value ◽  
Initial Value Representation ◽  
Short Times ◽  
Value Representation
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