Non-adiabatic molecular Hamiltonian: Canonical transformation coupling electronic and vibrational motions

Details Non-adiabatic molecular Hamiltonian: Canonical transformation coupling electronic and vibrational motions Non-adiabatic molecular Hamiltonian: Canonical transformation coupling electronic and vibrational motions

1998-06-17

arxiv.org/abs/physics/9806024v1

Physics

Chemical Physics

25 pages, revtex

Scientific paper

The coupling of electronic and vibrational motion is studied by two canonical transformations namely normal coordinate transformation and momentum transformation on molecular Hamiltonian. It is shown that by these transformations we can pass from crude approximation to adiabatic approximation and then to non-adiabatic (diabatic) Hamiltonian. This leads to renormalized fermions and renormalized diabatic phonons. Simple calculations on $H_{2}$, $HD$, and $D_{2}$ systems are performed and compared with previous approaches. Problem of electronic quasi-degeneracy is discussed.

Affiliated with

Also associated with

No associations

Rating

Non-adiabatic molecular Hamiltonian: Canonical transformation coupling electronic and vibrational motions does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Non-adiabatic molecular Hamiltonian: Canonical transformation coupling electronic and vibrational motions, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Non-adiabatic molecular Hamiltonian: Canonical transformation coupling electronic and vibrational motions will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-364594