OPTIMIZATION OF A DISTRIBUTED GAUSSIAN-BASIS SET USING SIMULATED ANNEALING - APPLICATION TO THE ADIABATIC DYNAMICS OF THE SOLVATED ELECTRON

被引:100
作者
SPRIK, M
KLEIN, ML
机构
关键词
INTEGRAL MONTE-CARLO; MOLECULAR-DYNAMICS; EXCESS ELECTRONS; WATER CLUSTERS; LOCALIZATION; SILICON; SYSTEMS; SURFACE;
D O I
10.1063/1.455156
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
引用
收藏
页码:1592 / 1607
页数:16
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