CM frame kinetic energy for a molecule

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SUMMARY

The discussion centers on the kinetic energy of a molecule in its center of mass (CM) frame, specifically addressing the significance of the third term in the kinetic energy formula. This term encompasses all rotational kinetic energy components and leads to the derivation of rotational energy and a Coriolis term. The last term represents the kinetic energy of electrons relative to the CM, with indices i and j summing over the electrons. Understanding these components is crucial for a comprehensive grasp of molecular dynamics.

PREREQUISITES
  • Understanding of molecular kinetic energy concepts
  • Familiarity with center of mass (CM) frame analysis
  • Knowledge of rotational dynamics in molecular systems
  • Basic principles of quantum mechanics related to electron behavior
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  • Study the derivation of kinetic energy in the center of mass frame
  • Learn about rotational energy in molecular dynamics
  • Explore the Coriolis effect in rotating reference frames
  • Investigate the role of electron kinetic energy in molecular systems
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Students and researchers in physical chemistry, molecular physics, and quantum mechanics, particularly those focusing on molecular dynamics and kinetic energy analysis.

kelly0303
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Hello! When the kinetic energy of a molecule is written in its CM frame we get the formula attached. The first term is the kinetic energy of the CM frame with respect to the lab frame, the second term is the kinetic energy associated with the distance between the nuclei and the last term is the kinetic energy of the electrons with respect to the CM. Can someone help me understand what the 3rd term is? It seems like all the possible motions are taken into account so I am not sure what that is (it comes out naturally from the mathematical derivation, but I am not sure what it is physically). Thank you!
 

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Are you sure about the significance of the last term? What to the indices ##i## and ##j## sum over?

The 3rd term contains all the rotational terms. Further development of this term will lead to the rotational energy (rotational of the molecular frame wrt the lab frame) and a Coriolis term.
 
DrClaude said:
Are you sure about the significance of the last term? What to the indices ##i## and ##j## sum over?

The 3rd term contains all the rotational terms. Further development of this term will lead to the rotational energy (rotational of the molecular frame wrt the lab frame) and a Coriolis term.
The last term is the kinetic energy of the electrons with respect to the molecule center of mass and the i and j indices are over the electrons. Actually the rotation of the molecule comes from the second term where R is the internuclear distance.
 

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