CCSD(T)和CC3是CCSDT的两种不同简化版，CCSDT消耗计算资源相当大，一般的机器估计承受不了其漫长的计算...
31 别把CCSD(T)说成CCSDT，仔细看 计算化学中的一些常见不良写法和用词 http://sobereva.com/298（...
CCSD(T)和CC3是CCSDT的两种不同简化版，CCSDT消耗计算资源相当大，一般的机器估计承受不了其漫长的计算...
计算化学的高斯软件中CCSDT计算异构体，相比于B3LYP异构体能量出现反转，怎么办？发自小木虫Android客户端 ...
The CCSD(T) and CCSDT interaction energies were determined for model planar H-bonded complexes (formamide…formamide, formamidine…formamidine) and stacked complexes (ethylene…ethylene, formaldehyde…formaldehyde). Various basis sets from the 6-31G*(0.25) to aug-cc-pVDZ were used. Difference betwee...
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MRCC中采用ccsd(t)和ccsdt(q)两种方法无法计算出甲基的能量，输入文件如下：gprint, orbitals memory, ...
The potential energy surface for the dissociation of methane CH4→CH3•+H• is investigated using many-body perturbation theory (MBPT) and coupled-cluster (CC) methods including full CCSDT. Full fourth-order MBPT(4) based upon an unrestricted Hartree-Fock reference function shows the characterist...
CCSD(T),CCSD[T]是如何来近似CCSDT的？那些文献有这些理论方法的公式？正常这种东西在你所用的软件的...
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