COMMENTS ON SELF-TERMS IN CRYSTAL DYNAMICS

被引：9

作者：

NETO, N ^{[1
]}

KIRIN, D ^{[1
]}

机构：

[1] RUDJER BOSKOVIC INST, YU-41001 Zagreb, YUGOSLAVIA

来源：

CHEMICAL PHYSICS | 1979年 / 44卷 / 02期

关键词：

D O I：

10.1016/0301-0104(79)80122-6

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：

Force constants in external coordinates are derived, using the self-term formalism and the analytic approach, when an atom-atom potential is used to account for interactions of rigid molecules in a crystal. It is shown that, if the crystal structure corresponds to equilibrium, self-force constants are identical with those obtained by ordinary differentiation rules when cartesian displacements are expanded up to the second order in rotational variables. © 1979.

引用

页码：245 / 250

页数：6

共 13 条

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[10] HERMITICITY OF DYNAMICAL MATRIX
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