CCL: question on Born-Oppenheimer approx.
- From: Jun Zhang <coolrainbow . yahoo.cn>
- Subject: CCL: question on Born-Oppenheimer approx.
- Date: Thu, 4 Nov 2010 08:09:41 +0800 (CST)
Sent to CCL by: Jun Zhang [coolrainbow-*-yahoo.cn]
Hi everyone:
This question is quite fundermental. I share the somewhat
similar opinion with Ulf Ekstrom. For an isolate molecule in
vacuo, by time-independent SE beyond the BO approximation
with bound state condition, e.g. CH3OCH3 and C2H5OH, they of
ourse have the same form of SE and have the same solutions.
BO approximation, although excellent, does not tell us why
a particular nuclear configuration can be stable (geometry
optimization is not the answer since the conception of PES
is within the framework of BO). In my opinion, the
introduction of BO approximation can be viewed as a "coarse
grain" decription of the molecule world, i.e. "unknown" of
the history of the molecule or the rest of the world. The
stable existence of a specific configuration, CH3OCH3 or
C2H5OH, might be traced back to a particular initial
condition at time t=t0, which has made the solution of SE
might have some special dynamics properties that the time
evolution of the configuration is very slow. Another
possibility is that the condense state of material might
stabilize the molecule, or we may say that it is those
molecular configurations which can "survive" or "be robust"
in the environmant are able to be stationary, or as Ulf
Ekstrom stated, "pointer state". BO approximation that
fixes a known nuclear configuration, in my point of view,
is the reduced description of all other "unknowns"
Jun Zhang
Nankai University
coolrainbow---yahoo.cn