小平面
发表于 2025-3-25 04:20:38
Takao TsunedaIs an unconventional book on DFT based on quantum chemistry.Focuses on the bare essentials of DFT that are necessary for the treatment of chemical problems.Presents the details of state-of-the-art fun
一个搅动不安
发表于 2025-3-25 07:58:17
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Ablation
发表于 2025-3-25 14:53:02
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endoscopy
发表于 2025-3-25 17:10:56
Book 2014hemistry are also targeted. In particular, the physical meanings of state-of-the-art exchange-correlation functionals and their corrections are described in detail. Owing to its unconventionality, this book is certain to be of great interest not only to chemists but also to solid state physicists.
无目标
发表于 2025-3-25 22:40:32
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Torrid
发表于 2025-3-26 02:26:10
Drifting in Four Epistemic Traditions,rgy density, hybrid GGA functionals, based on the concept of the adiabatic connection, and semiempirical functionals, using many semiempirical parameters to produce accurate potentials, are surveyed to clarify their features and problems in Sects. 5.4– 5.6.
无所不知
发表于 2025-3-26 08:07:37
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Rct393
发表于 2025-3-26 09:39:26
Exchange-Correlation Functionals,rgy density, hybrid GGA functionals, based on the concept of the adiabatic connection, and semiempirical functionals, using many semiempirical parameters to produce accurate potentials, are surveyed to clarify their features and problems in Sects. 5.4– 5.6.
上下连贯
发表于 2025-3-26 16:05:54
Book 2014heory in quantum chemistry calculations. However, thus far, there has been no book on the fundamentals of DFT that uses the terminology and methodology of quantum chemistry, which is familiar to many chemists, including experimentalists. This book first reviews the basic concepts and historical back
jumble
发表于 2025-3-26 20:43:45
emical problems.Presents the details of state-of-the-art funIn this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most frequently used theory in quantum chemistry calculations. However, thus far, there has been no book on the