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为了将非匀一硬球流体的桥密度泛函近似扩展到非匀一非硬球流体,提出了一个理论方案.所得的LJ流体的密度泛函近似计算简单,精确.特别是密度泛函近似仅仅需要共存体相流体的二阶直接相关函数作为输入,因而可以应用于超临界与亚临界温度.所提出的理论方案可以认为是热力学理论的非匀一对应物.
扩展桥密度泛函近似于非匀一非硬球流体
【摘 要】
：
为了将非匀一硬球流体的桥密度泛函近似扩展到非匀一非硬球流体,提出了一个理论方案.所得的LJ流体的密度泛函近似计算简单,精确.特别是密度泛函近似仅仅需要共存体相流体的二
【机 构】
：
湖南省绿色包装和生物纳米技术实验室
【出 处】
：
化学物理学报
【发表日期】
：
2004年期
【基金项目】
：
湖南省教育厅自然科学基金;国家自然科学基金
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