BORN-GREEN PAIR POTENTIALS FOR LIQUID LEAD

被引:23
作者
GEHLEN, PC
ENDERBY, JE
机构
[1] Battelle Memorial Institute, Columbus Laboratories, Columbus
关键词
D O I
10.1063/1.1672032
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The k-space form of the Bom-Green (BG) equation has been investigated numerically. In particular, the equation has been used to derive the effective interatomic potential φBG from the measured structure factor S(k) for liquid Pb. These potentials are compared with those derived from another theory of liquids, namely, the Percus-Yevick theory (PY). It is found that φBG (like φpy) is very sensitive to the low-angle form of S(k); however, if the same input data are used for both theories, the resulting interatomic potentials are remarkably similar and are not like those derived from the pseudopotential theory of the metallic state.
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页码:547 / &
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