COM
发表于 2025-3-28 17:39:54
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debacle
发表于 2025-3-28 21:28:45
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小溪
发表于 2025-3-28 23:52:04
Introduction,f quantum mechanics by . , . , . and . , . , and others, the paper by . and . on the ground state of the H. molecule opened the way to a theoretical understanding of chemical bonding. Their work marks the beginning of quantum chemistry. The Heitler-London ansatz for the gro
peak-flow
发表于 2025-3-29 06:35:03
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amphibian
发表于 2025-3-29 08:12:46
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
CURB
发表于 2025-3-29 12:09:40
Quantum-Chemical Approach to Electron Correlations,ctron problem. Its shortcomings were discussed in Sect. 2.8, where we showed that it is the correlation hole which every electron carries along that is missing in such an approach. The correlation hole prevents electrons from coming too close to each other and reduces their mutual Coulomb repulsion.
步履蹒跚
发表于 2025-3-29 18:33:58
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多产子
发表于 2025-3-29 22:35:41
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刺耳
发表于 2025-3-30 03:11:46
Finite-Temperature Techniques,correlations not only on the ground state but also on the low-energy excitations of the system. Of particular interest is the partition function Z or the free energy F of the electrons. We can deduce from both quantities a number of static thermodynamicproperties. The partition function is the trace
用手捏
发表于 2025-3-30 06:15:38
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