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OALib Journal期刊
ISSN: 2333-9721
费用：99美元
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固体氢的压缩行为
DOI: 10.11858/gywlxb.1998.01.004, PP. 22-27
Keywords: 路径积分蒙特卡罗方法,等温等压系综,状态方程
Abstract:
同时考虑分子的平动与转动自由度，用等温等压系综的路径积分蒙特卡罗方法研究了固体氢的状态方程。在有实验数据的区域，计算结果同实验结果符合很好，在无实验数据的超高压区域，计算结果同实验的外推结果符合。为了定量研究零点运动，还计算了体系的能量。
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