论文标题
光腔中出生的脑近似:从成功到崩溃
Born-Oppenheimer approximation in optical cavities: from success to breakdown
论文作者
论文摘要
分子和腔的耦合在分子中诱导非绝热性,这使得其动力学的描述变得复杂。对于多原子分子,降低的维度模型以及使用邻苯二摄蛋白的近似(BOA)可能会解决这种情况。证明与期望相反,BOA甚至可能在一维模型中失败,并且由于腔体引起的锥形相交的出现,通常预期在两种或更二维的模型中失败。
The coupling of a molecule and a cavity induces non-adiabaticity in the molecule which makes the description of its dynamics complicated. For polyatomic molecules, reduced-dimensional models and the use of the Born-Oppenheimer approximation (BOA) may remedy the situation. It is demonstrated that contrary to expectation, BOA may even fail in a one-dimensional model and generally expected to fail in two- or more-dimensional models due to the appearance of conical intersections induced by the cavity.