高分子结构与性能研究的密度泛函理论方法

Density-Functional Theory to Study of Polymeric Structures and Properties

随着高分子科学的发展,高分子的性质需要更多的理论给予解释。本文介绍了目前正在形成的密度泛函理论方法及其在高分子结构和性能研究中的应用。由于该理论处于初始阶段,有许多问题尚待研究。

Summary With the progress of polymer science for much more theories the explanation of polymeric properties is sought out. This paper gives a introduction to density-functional theory which is pending further perfection but have many advantages, and has a review of applications of this theory to study of polymeric structures and properties. It is notice, however, that this subject has been just beginning. So many courses will be to study on.