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POLE EXPANSION FOR SOLVING A TYPE OF PARAMETRIZED LINEAR SYSTEMS IN ELECTRONIC STRUCTURE CALCULATIONS
Pole expansion approximation theory parametrized linear systems electronic structure calculation
2015/7/14
We present a new method for solving parametrized linear systems. Under certain assumptions on the parametrization, solutions to the linear systems for all parameters can be accurately approximated by ...
专著信息
书名
Reactions of zirconium and hafnium atoms with ammonia. Matrix infrared spectra and density functional calculations of the MNH3 and H2MNH (M=Zr and Hf) molecules.
语种
英文
撰写或编译
作者
M. F. Zhou,M. H...