Doye Jonathan P K
University Chemical Laboratory, Lensfield Road, Cambridge CB2 1EW,United Kingdom.
Phys Rev Lett. 2002 Jun 10;88(23):238701. doi: 10.1103/PhysRevLett.88.238701. Epub 2002 May 20.
Here we analyze the topology of the network formed by the minima and transition states on the potential energy landscape of small clusters. We find that this network has both a small-world and scale-free character. In contrast to other scale-free networks, where the topology results from the dynamics of the network growth, the potential energy landscape is a static entity. Therefore, a fundamentally different organizing principle underlies this behavior: The potential energy landscape is highly heterogeneous with the low-energy minima having large basins of attraction and acting as the highly connected hubs in the network.
在这里，我们分析了由小团簇势能面上的极小值和过渡态所形成的网络的拓扑结构。我们发现这个网络具有小世界和无标度特征。与其他无标度网络不同，在其他无标度网络中拓扑结构源于网络增长的动力学，而势能面是一个静态实体。因此，这种行为背后有着根本不同的组织原则：势能面高度不均匀，低能量极小值具有大的吸引盆，并在网络中充当高度连接的枢纽。
