THE CONSTRUCTION OF AB INITIO-BASED POTENTIAL ENERGY SURFACES

被引：0
|
作者：
Dawes, Richard [1 ]
Quintas-Sanchez, Ernesto [1 ]
机构：
[1] Missouri Univ Sci & Technol, Dept Chem, Rolla, MO 65409 USA
来源：
REVIEWS IN COMPUTATIONAL CHEMISTRY, VOL 31 | 2019年 / 31卷
关键词：
LEAST-SQUARES METHODS; COUPLED-CLUSTER METHODS; ELECTRONIC-STRUCTURE CALCULATIONS; DENSITY-FUNCTIONAL THEORY; ORBIT MATRIX-ELEMENTS; NEURAL-NETWORK; TRANSITION-STATE; QUANTUM DYNAMICS; CLASSICAL TRAJECTORIES; ACTIVATED COMPLEX;
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：199 / 263
页数：65
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