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Self Diffusion Coefficient and Force Auto-Correlation Function

 

作者: RajneeshK. Sharma,   K.N. Pathak,   K. Tankeshwar,   S. Ranganathan,  

 

期刊: Physics and Chemistry of Liquids  （Taylor Available online 1995）
卷期: Volume 29, issue 1  

页码: 59-68

 

ISSN:0031-9104

 

年代: 1995

 

DOI:10.1080/00319109508030264

 

出版商: Taylor & Francis Group

 

关键词: Velocity auto-correlation function;self diffusion coefficient;memory function

 

数据来源: Taylor

 

摘要:

Self diffusion coefficients of the Lennard-Jones fluid have been calculated using a model for the force auto-correlation function. Parameters of the proposed model are determined using frequency sum rules of the velocity auto-correlation function. Predicted results for the self diffusion coefficient are found to be in a reasonable agreement with computer simulation data.

 

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