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Titlebook: Molecular Orbitals and their Energies, Studied by the Semiempirical HAM Method; E. Lindholm,L. ?sbrink Textbook 1985 Springer-Verlag Berli

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發(fā)表于 2025-3-21 18:58:21 | 只看該作者 |倒序?yàn)g覽 |閱讀模式
書目名稱Molecular Orbitals and their Energies, Studied by the Semiempirical HAM Method
編輯E. Lindholm,L. ?sbrink
視頻videohttp://file.papertrans.cn/639/638436/638436.mp4
叢書名稱Lecture Notes in Chemistry
圖書封面Titlebook: Molecular Orbitals and their Energies, Studied by the Semiempirical HAM Method;  E. Lindholm,L. ?sbrink Textbook 1985 Springer-Verlag Berli
描述This treatment of molecular and atomic physics is primarily meant as a textbook. It is intended for both chemists and physicists. ·It can be read without much knowledge of quantum mechanics or mathematics, since all such details are explained-. It has developed through a series of lectures at the Royal Institute of Technology. The content is to about 50 % theoretical and to 50 % experimental. The reason why the authors, who are experimentalists, went into theory is the following. When we during the beginning of the 1970‘s measured photo- electron spectra of organic molecules, it appeared to be impossible to understand them by use of available theoretical calculations. To handle hydrocarbons we ( together with C. Fridh ) constructed in 1972 a purely empirical procedure, SPINDO [1] which has proved to be useful, but the extension to molecules with hetero- atoms appeared to be difficult. One of us ( L.A.) proposed then another purely ~~E!E!~~! EE2~~~~E~ ( Hydrogenic Atoms in Molecules, HAM/1, unpublished), in which the Fock matrix elements f5..y were parametrized using Slater‘s shielding concept. The self-repulsion was compensated by a term "-1". The §~~2~~_~ff2E~, HAM/2 [2] , started
出版日期Textbook 1985
關(guān)鍵詞Energies; Extension; Orbitals; knowledge; mathematics; complexity
版次1
doihttps://doi.org/10.1007/978-3-642-45595-7
isbn_softcover978-3-540-15659-8
isbn_ebook978-3-642-45595-7Series ISSN 0342-4901 Series E-ISSN 2192-6603
issn_series 0342-4901
copyrightSpringer-Verlag Berlin Heidelberg 1985
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發(fā)表于 2025-3-21 21:35:04 | 只看該作者
https://doi.org/10.1007/978-3-642-45595-7Energies; Extension; Orbitals; knowledge; mathematics; complexity
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5#
發(fā)表于 2025-3-22 10:58:13 | 只看該作者
Textbook 1985e of us ( L.A.) proposed then another purely ~~E!E!~~! EE2~~~~E~ ( Hydrogenic Atoms in Molecules, HAM/1, unpublished), in which the Fock matrix elements f5..y were parametrized using Slater‘s shielding concept. The self-repulsion was compensated by a term "-1". The §~~2~~_~ff2E~, HAM/2 [2] , started
6#
發(fā)表于 2025-3-22 13:10:01 | 只看該作者
Molecular Orbitals and their Energies, Studied by the Semiempirical HAM Method
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發(fā)表于 2025-3-22 17:18:58 | 只看該作者
0342-4901 rix elements f5..y were parametrized using Slater‘s shielding concept. The self-repulsion was compensated by a term "-1". The §~~2~~_~ff2E~, HAM/2 [2] , started978-3-540-15659-8978-3-642-45595-7Series ISSN 0342-4901 Series E-ISSN 2192-6603
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發(fā)表于 2025-3-22 23:41:50 | 只看該作者
Textbook 1985out much knowledge of quantum mechanics or mathematics, since all such details are explained-. It has developed through a series of lectures at the Royal Institute of Technology. The content is to about 50 % theoretical and to 50 % experimental. The reason why the authors, who are experimentalists,
9#
發(fā)表于 2025-3-23 02:51:42 | 只看該作者
0342-4901 read without much knowledge of quantum mechanics or mathematics, since all such details are explained-. It has developed through a series of lectures at the Royal Institute of Technology. The content is to about 50 % theoretical and to 50 % experimental. The reason why the authors, who are experime
10#
發(fā)表于 2025-3-23 08:14:52 | 只看該作者
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