CAJ | 학술논문

为探索寻找经典模型兰纳‐琼斯簇的全局最优构型的更优算法，选取盆地跳和极小值跳算法，计算了13粒子、38粒子以及60粒子的兰纳‐琼斯簇最优构型。结果表明：这两种算法都可以成功找到最优构型，其中极小值跳方法相比较而言有较快的搜索速度，它的搜索步数约比盆地跳算法少至少一个数量级。
위탐색심조경전모형란납‐경사족적전국최우구형적경우산법，선취분지도화겁소치도산법，계산료13입자、38입자이급60입자적란납‐경사족최우구형。결과표명：저량충산법도가이성공조도최우구형，기중겁소치도방법상비교이언유교쾌적수색속도，타적수색보수약비분지도산법소지소일개수량급。
In order to find a better algorithm for global optimization of Lennard‐Jones cluster , two algorithms ,basin‐hopping and minima‐hopping ,were used to optimize the structures of 13 particles ,38 particles ,and 60 particles Lennard‐Jones clusters .Both algorithms find global minima ,w hile the minima‐hopping method yields a faster search speed w hich is at least one order faster than the basin‐hopping method .