超细金属丝中电子的关联函数和关联能

The Correlation Function and Correlation Energies of the Electron Gas in Ultra-thin Metal Wires

对于具有库仑相互作用的超细金属丝，该文提出了一种新的准一维模型，从而得到了准一维超细金属丝体系的电子有效库仑势形式并在相关基函数理论框架下，利用准一维电子体系的集体振荡行为，确定了具有库仑相互作用的二体关联的Ｊａｓｔｒｏｗ－Ｆｅｅｎｂｅｒｇ－Ｓｌａｔｅｒ多体变分波函数，通过对实空间关联函数的方程的自洽迭代求解以及体系能量的变分计算，得到了金属钾 ｒｓ＝４．９６７细丝的关联函数、关联能．该文得到的关联函数是恒正的，并且满足归一化条件．

For the ultra - thin metal wires systems with coulomb interaction, a new quasi one -dimen sionmodel is presented in this paper. The form of effective coulomb potential for the ultra - thin metal wire systems is derived. Based on the correlated wave function theory, the Jastrow- Feenbery - stater many- body variation wave function is obtained on the basis of the collective oscillation behavior of the electron gas. We have solved correlation function equation of real space and variation calculation to the system energies. The pair correlation wave function and correlation energies and many - body wave function of ultra thin K wires are obtained. The pair correlation function obtained in this paper is positive definite and can satisfy the normalization condition.