A Time-Dependent Born-Oppenheimer Approximation with Exponentially Small Error Estimates
نویسندگان
چکیده
منابع مشابه
A Time–Dependent Born–Oppenheimer Approximation with Exponentially Small Error Estimates
We present the construction of an exponentially accurate time–dependent Born– Oppenheimer approximation for molecular quantum mechanics. We study molecular systems whose electron masses are held fixed and whose nuclear masses are proportional to ǫ−4, where ǫ is a small expansion parameter. By optimal truncation of an asymptotic expansion, we construct approximate solutions to the time–dependent...
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where R is the set of nuclear coordinates and r is the set of electronic coordinates. If spin-orbit effects are important, they can be added through a spin-orbit operator Ĥso. Unfortunately, the V̂eN(r,R) term prevents us from separating Ĥ into nuclear and electronic parts, which would allow us to write the molecular wavefunction as a product of nuclear and electronic terms, Ψ(r,R) = Ψ(r)χ(R). W...
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ژورنال
عنوان ژورنال: Communications in Mathematical Physics
سال: 2001
ISSN: 0010-3616,1432-0916
DOI: 10.1007/s002200100562