Title of article :
Structure of the metal-liquid interface: self-consistent combination of the first-principles metal calculation and an integral equation method
Author/Authors :
Yamamoto، نويسنده , , Masahiro and Kinoshita، نويسنده , , Masahiro، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1997
Abstract :
This letter contributes to development of microscopic theories for the metal/liquid interface. We report results of the first attempt to combine the first-principles calculation for the metal surface and the reference hypernetted-chain method for the liquid in a fully self-consistent manner. The dipolar liquid/Pt(111) interface is considered. The electron density, liquid structure, and electrostatic potential across the interface are briefly discussed.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters