• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>The Journal of Chemical Physics >RATE CONSTANTS IN THE SPATIAL DIFFUSION REGIME FOR A MODEL BASED ON THE GENERALIZED LANGEVIN EQUATION
【24h】

RATE CONSTANTS IN THE SPATIAL DIFFUSION REGIME FOR A MODEL BASED ON THE GENERALIZED LANGEVIN EQUATION

机译：基于广义Langevin方程的空间扩散模型中的速率常数

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Rate constants have been numerically computed for a cubic oscillator subject to a Gaussian friction kernel. The system is studied over a wide range of system-bath coupling, as measured by the static friction coefficient, and the obtained rate constants are compared with theoretical predictions as well as with previous simulations. The results are consistent with variational bounds in the spatial diffusion regime; values lower or equal to the theoretical estimates are obtained throughout. This should resolve the paradox that existed for very high friction, where values higher than the theoretical predictions has been reported and tentatively assigned to a possible nonergodicity of the model. The origin of the discrepancy between the present results and previous simulations, together with the range of validity of several theoretical approaches, are discussed. (C) 1996 American Institute of Physics. [References: 37]
机译：已经对受高斯摩擦核约束的立方振荡器的速率常数进行了数值计算。通过静摩擦系数测量，对系统进行了广泛的系统-浴耦合研究，并将获得的速率常数与理论预测和先前的仿真进行了比较。结果与空间扩散状态的变化范围一致;始终获得低于或等于理论估计值的值。这应该可以解决由于非常高的摩擦而存在的悖论，在该悖论中，已经报告了高于理论预测值的值，并暂时将其分配给该模型可能的非遍历性。讨论了当前结果与先前模拟之间差异的根源，以及几种理论方法的有效性范围。 （C）1996年美国物理研究所。 [参考：37]

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号