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Born–Huang approximation : ウィキペディア英語版
Born–Huang approximation
The Born–Huang approximation (named after Max Born and Huang Kun) is an approximation closely related to the Born–Oppenheimer approximation. It takes into account diagonal nonadiabatic effects in the electronic Hamiltonian than the Born–Oppenheimer approximation.〔(Mathematical Methods and the Born-Oppenheimer Approximation )〕 Despite the addition of correction terms, the electronic states remain uncoupled under the Born–Huang approximation, making it an adiabatic approximation.
==Mathematical formula==
The Born–Huang approximation asserts that the representation matrix of nuclear kinetic energy operator in the basis of Born–Oppenheimer electronic wavefunctions is diagonal:
:
\langle\chi_(\mathbf;\mathbf) |
T_\mathrm|\chi_k(\mathbf;\mathbf)\rangle_= \mathcal_\mathrm(\mathbf)\delta_


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