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Efficient Algorithm for Asymptotics-Based CI and Electronic Structure of Transition Metal Atoms
Efficient Algorithm Asymptotics-Based CI Electronic Structure Transition Metal Atoms
2010/10/19
Asymptotics-based CI methods1 are a class of Configuration-Interaction (CI) methods for atoms which reproduce,at fixed finite subspace dimension, the exact Schr¨odinger eigenstates in the limit of fix...
专著信息
书名
Ammonia Activation by Early Transition Metal Atoms (Sc, Ti, and V). Matrix Isolation Infrared Spectroscopic and Density Functional Theory Studies.
语种
英文
撰写或编译
作者
M. H. Chen,H. Lu,J. Dong,L. Mi...