Offensive
发表于 2025-3-26 23:14:03
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CON
发表于 2025-3-27 01:22:03
Fermi Holes and Coulomb Holes,nt that is obtained over Hartree-Fock, in particular if also non-local corrections are included (cf. other papers in this volume). Evidently, it is desirable to understand precisely . effects of correlation are build into the exchange correlation potential and energy of present day DF appraoches. Fo
vasculitis
发表于 2025-3-27 08:29:23
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渗入
发表于 2025-3-27 10:24:36
Density Functional Calculations on Special Clusters,ers must have unusually low surface energy . The discovery of special clusters is adding a new dimension to chemistry and materials science and is presenting major challenges and opportunities for predictive theoretical methods. The challenge is that these interesting new systems are quite large.
激怒某人
发表于 2025-3-27 16:18:08
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HAUNT
发表于 2025-3-27 21:46:30
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lesion
发表于 2025-3-28 00:13:25
Density Functional Theory of Molecules, Clusters, and Solids
Coterminous
发表于 2025-3-28 04:15:10
Density Functional Theory of Molecules, Clusters, and Solids978-94-011-0487-6
badinage
发表于 2025-3-28 10:21:13
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carotenoids
发表于 2025-3-28 10:59:04
Drilling of Polymer-Matrix Compositesection 2). In practice, the density functional for the exchange-correlation energy must be approximated. The local spin density approximation (Section 3) has proved to be simple, tractable, and usefully accurate, despite its typical overestimation of bonding or cohesive energies.