Madrigal
发表于 2025-3-30 09:26:57
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混合
发表于 2025-3-30 15:44:09
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lactic
发表于 2025-3-30 19:03:54
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Halfhearted
发表于 2025-3-30 20:58:36
Correlation Contributions from Density Functionals,y Hohenberg and Kohn (1964) and much progress has been made along this line (see, e.g., the contributions of Becke, Levy, or Parr to this volume). On the other hand, it is well-known that wave-functions can be improved systematically by increasing the number of Slater determinants used. Several atte
辩论
发表于 2025-3-31 02:47:05
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畸形
发表于 2025-3-31 06:22:03
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格言
发表于 2025-3-31 10:08:33
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miscreant
发表于 2025-3-31 16:46:06
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品牌
发表于 2025-3-31 19:42:01
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Senescent
发表于 2025-3-31 22:55:39
https://doi.org/10.1007/978-3-322-83494-2 gas phase. The ground state is calculated to have .E symmetry and the first excited state .A.. symmetry. Further calculations of low lying states of Fe(II)porphine show that both singlet and quintet spin states are higher in energy.