Use of Trotter Theorem in Path Integral Molecular Dynamics

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SUMMARY

The discussion centers on proving step 8.3 in the path integral formulation of molecular dynamics, specifically utilizing the Trotter Theorem. The key steps involve recognizing that potential operators are diagonal in the x basis, leading to the evaluation of integrals involving momentum eigenstates. The integration of the exponential function results in a Gaussian form, specifically ##\exp(-C'(x(s)-x(s+1))^2)##, after completing the square. The constants involved in this process are left for further exploration.

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  • Understanding of path integral formulation in quantum mechanics
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  • Knowledge of momentum eigenstates and their properties
  • Experience with Gaussian integrals and completing the square technique
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jelathome
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I am unable to prove step 8.3 in this proof of the path integral formulation of molecular dynamics
https://files.nyu.edu/mt33/public/jpc_feat/node11.html

Any help would be much appreciated.
 
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The exponentials containing the U's are clear, I suppose? The potential operators are diagonal in the x basis so you are left with the exponential of the T operator between x(s) and x(x+1). Insert momentum eigenstates. The T operator in the exponent becomes proportional to p^2 and ##<p|x>\propto \exp(ipx)##. So you have to evaluate something like ##\int dp \exp(Cp^2+ip(x(s)-x(s+1)))##. Complete the square and integrate over the shifted p. You get the Gaussian ## \exp(-C'(x(s)-x(s+1))^2)##. You are free to work out all the constants I left open.
 
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