Re: Energy conservation low in quantum mechanic.



Hi Gregory,

System that I am speaking about is a large molecule (about 50 atoms),
and harmonic oscillators correspond to normal modes. System is not in
equilibrium (in the sense of atomic position) partially because of the
influence of the solvent. It means that geometry of the molecule is
changed and as a consequence frequency of normal modes is also changed.
I cannot said that change of frequency (force constant, potential
energy) is vary fast, moreover it is very slow in comparison to the
period of normal mode vibration. Therefore, I do not think that after
force constant is changed the wave function will be the same, it will
somehow follow changes. Moreover, I cannot say that oscillator performs
some work which changes potential energy (in terms of your example,
movement of particle is not a reason why potential energy (width of
box) was changed). One of the problems is that something that changes
potential energy of oscillator can also change the total energy of
oscillator. But I do not understand, what is a mechanism of these
changes? Te only way how particle can "see" the external world is the
time dependent potential energy which was already taken into account. I
suppose that I need to solve time dependent Schrödinger equation and I
think that in this case total energy will be automatically constant,
isn't?

Kurda.

.



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