scholarly journals Simplified approach to the mixed time-averaging semiclassical initial value representation for the calculation of dense vibrational spectra

2018 ◽  
Vol 148 (11) ◽  
pp. 114107 ◽  
Author(s):  
Max Buchholz ◽  
Frank Grossmann ◽  
Michele Ceotto
Keyword(s):  
Vibrational Spectra ◽  
Time Averaging ◽  
Initial Value ◽  
Simplified Approach ◽  
Initial Value Representation ◽  
Value Representation

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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