Basis Set Superposition Error 基组重叠误差 ; 误差 ; 基底重叠误差 ; 基函数迭加误差
Minimal Basis Set 极小基组
High Angular Momentum Basis Set 高角动量基组
n-electron basis set n电子基组
Complete Basis Set Motheds 完全基组方法 ; 为明显
Complete Basis Set Methods 完全基组方法
Bed basis set 成套床架
fmo basis set 片断轨道基组
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Moreover, influence of basis set effect upon TDHF calculation is also discussed.
此外,还讨论了基组效应对含时耦合微扰计算的影响。
All the binding energies have been corrected by the basis set superposition error (BSSE) and zero point energies (ZPE).
在各基组下均进行基组叠加误差(BSSE)和零点能(ZPE)校正求得结合能。
Ab initio DFT/B3LYP calculations at 6—31G basis set level were carried out for the possible product radicals of guanine attacked by·OH.
采用密度泛函(DFT)理论中B3LYP方法在6— 31G基组水平上对鸟嘌呤(G)受羟基自由基进攻形成的各种可能产物自由基进行几何全优化。
Speaking at a Moscow news conference, Russian Foreign Ministry spokesman Andrei Nesterenko said the first meeting between U.S.President Barack Obama and his Russian counterpart,Dmitri Medvedev, set the basis for practical cooperation between the two countries.
VOA: standard.2009.04.02
The discount rate was a policy variable set by the Fed and it was typically fifty basis points below the Federal Funds Rate.
贴现率是一个联邦可改变的政策,并且它比联邦资金利率通常,低五十个基本点。
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