alliance
发表于 2025-3-30 09:09:08
Density Functional Theory,articular. It has given these calculations a sounder theoretical basis than they had previously, when they depended to a considerable extent on model potentials. The theory has also been widely applied to molecules, thereby competing with standard quantum chemical methods, and to the computation of
Clumsy
发表于 2025-3-30 13:17:38
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ARCH
发表于 2025-3-30 17:38:41
Excited States,t the correlation-energy contribution to the ground-state energy may be small compared with the dominating contributions of the self-consistent field; however, when energy . with respect to the ground state are calculated, the changes in the correlation energy may become equal to or even larger than