标题： 分子振动猝灭的量子性质：水 - 分子氢碰撞 显示英文标题

标题： Quantum nature of molecular vibrational quenching: Water - molecular hydrogen collisions

摘要： 分子内部能量通过分子碰撞转化为动能的速率，使得可以计算气体的碰撞线形状和输运性质。 了解转振猝灭速率对于将光谱观测与温暖天体物理气体（包括系外大气）的物理性质联系起来是必要的。 在这一背景下具有重要意义的系统中，氢气对水的振动弯曲模态猝灭，我们在这里表明，尽管涉及大量量子态和大量的振动能量转移，振动到旋转和动能的交换仍然是一个量子过程。 入射粒子的量子转子激发是水的最有效的转振猝灭路径。 为此，我们使用了完全的量子第一性原理计算，包括势能和动力学，并在所有阶段进行收敛，在完整的耦合通道形式中进行。 我们在此提供了正氢水的第一弯曲模态被正氢猝灭的速率，在完整的耦合通道形式中，温度高达500K。 显示英文摘要

摘要： Rates of conversions of molecular internal energy to and from kinetic energy by means of molecular collision allows to compute collisional line shapes and transport properties of gases. Knowledge of ro-vibrational quenching rates is necessary to connect spectral observations to physical properties of warm astrophysical gasses, including exo-atmospheres. For a system of paramount importance in this context, the vibrational bending mode quenching of H2O by H2, we show here that exchange of vibrational to rotational and kinetic energy remains a quantum process, despite the large numbers of quantum levels involved and the large vibrational energy transfer. The excitation of the quantized rotor of the projectile is by far the most effective ro-vibrational quenching path of water. To do so, we use a fully quantum first principle computation, potential and dynamics, converging it at all stages, in a full coupled channel formalisms. We present here rates for the quenching of the first bendingmode of ortho-H2O by ortho H2, up to 500K, in a fully converged coupled channels formalism.