LCAO
- abbr.原子轨函数线性组合(Linear Combination of Atomic Orbitals)
LCAO-
A New Treatment of Surface States in Finite Linear Crystals by MO - LCAO Method
一维晶体表面态的LCAO法新方案
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On the non - linear integral equations in LCAO - SCF method
LCAO&SCF方法中的非线性积分方程
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The theory of LCAO - crystal field orbit
LCAO&晶场轨道理论
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The program of Ab Initio LCAO SCF MO Calculations Using GTF as Basis Sets
以高斯函数为基组的自洽场分子轨道从头计算程序
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Energy level distribution are investigated with the method of LCAO combined with norm-conversing pseudopotential for zinc oxide nanoparticle .
运用原子轨道线性组合结合模守恒赝势方法研究了并得到了ZnO纳米颗粒具体的能级分布。
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On the basis of bioinorganic chemistry , the π orbital break up of O_2 molecule ( LCAO ) and its coordination compound is studied and discussed using molecular orbital .
本文从生物无机化学的角度，运用分子轨道法（LCAO），对氧分子（O2）的π轨道分裂及其配合物的特征进行了初步的探索和研究。