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最弱受約束電子理論及應(yīng)用(英文版)

最弱受約束電子理論及應(yīng)用(英文版)

定 價(jià):¥198.00

作 者: 鄭能武著
出版社: 上海科學(xué)技術(shù)出版社
叢編項(xiàng):
標(biāo) 簽: 暫缺

ISBN: 9787547861981 出版時(shí)間: 2023-06-01 包裝: 平裝-膠訂
開本: 16開 頁數(shù): 216 字?jǐn)?shù):  

內(nèi)容簡(jiǎn)介

  系統(tǒng)詳盡地介紹了一種新的量子理論——最弱受約束電子理論(WBE Theory)。闡明如何從逐級(jí)電離和全同粒子角度,將體系哈密頓算符劃分成單電子哈密頓算符的兩種等效方法;如何從給定的解析式,嚴(yán)格求解單電子薛定諤方程,得到能量和波函數(shù)的解析表達(dá)式;如何處理分子問題等。用大量示例展現(xiàn)該理論在物理學(xué)、化學(xué)、材料科學(xué)中的應(yīng)用,以表明其準(zhǔn)確性、簡(jiǎn)便性和普適性,并指出未來的研究方向和前景

作者簡(jiǎn)介

  鄭能武:北京大學(xué)化學(xué)系本科畢業(yè)(學(xué)制六年)。中國科技大學(xué)理論化學(xué)和無機(jī)化學(xué)教授、博士生導(dǎo)師,享受國務(wù)院政府特殊津貼,執(zhí)教41年。主要貢獻(xiàn)有:首次提出新的量子理論(WBE Theory),發(fā)現(xiàn)元素電離能差分定律。出版中英文專著3部,合著、合譯、合編教材和教學(xué)參考書5部,撰寫科普書4部。在國內(nèi)外學(xué)術(shù)期刊發(fā)表論文百余篇,其中,發(fā)在外刊上的論文(計(jì)73篇)全部被SCI收入。曾任中國科技大學(xué)應(yīng)用化學(xué)系系主任、校學(xué)術(shù)委員會(huì)委員、校學(xué)位委員會(huì)委員。曾以教授身份應(yīng)邀訪問美國普渡(Purdue)大學(xué)。曾任Malaysian Journal Chemistry國際顧問委員會(huì)委員。

圖書目錄

1 The Basics of Quantum Mechanics for the Weakest BoundElectron(WBE)Theory 1
11 The Wave-Particle Duality 1
12 The Uncertainty Principle 1
13 The Schrodinger Equation 3
14 Electron Spin and Spin Orbital [3,6-8]6
15 The Indistinguishability of Micro Identical Particles 9
16 Pauli Exclusion Principle and Periodic Table 10
17 One of the Approximation Methods in Quantum
Mechanics—The Variation Method 14
References 18
2 The Weakest Bound Electron Theory(1)21
21 The Concept of the Weakest Bound Electron 21
22 Ionization Process and Aufbau-Like Process is Reversible 23
23 The One-Electron Hamiltonian for the Weakest Bound Electron 26
231The Non-Relativistic One-Electron Hamiltonian for the Weakest Bound Electron 26
232 The Treatment of Magnetic Interaction Between Electrons 30
233 Relativistic Hamiltonian 31
24 The One-Electron Schrodinger Equation of the Weakest
Bound Electron 33
25 The Key Points of the WBE Theory 35
References 35
3 The Weakest Bound Electron Theory (2)37
31 Potential Function37
32 The Solution of the Radial Equation 39
321Spherical Harmonic 39
322 Generalized Laguerre Functions 42
323 Restore the Form of Hydrogen and Hydrogen-Like Atoms 47
324 The Definition and Properties of Generalized Laguerre Functions 48
325 The Proof of the Satisfaction of Hellmann-Feynman Theorem54
33 Matrix Element and Mean Value of Radial Operator rk 56
34 The Exact Solutions of Scattering States in WBEPM Theory 58
35 The Formula for the Calculation of Fine Structure 60
36 Calculation of Spin-Orbit Coupling Coefficient 61
37 Relation Between the WBEPM Theory and Slater-Type Orbitals 62
References 66
4 The Application of the WBE Theory 69
41 Ionization Energy [1-10] 69
411Introduction 69
412 Iso-spectrum-level Series and the Differential Law of Ionization Energy in the Series 76
413 Calculation of Ionization Energy 86
414 The Successive Ionization Energies of the 4f
Electrons for the Lanthanides [10]91
42 Energy Level [39-50] 96
421 Introduction 96
422 Formulae for Calculating Energy Levels 99
423 Methods for Parameter Characterization 101
424 Examples 107
43 Calculation of Oscillator Strength, Transition Probability and Radiative Lifetime [88-104]129
431Introduction129
432 Theory and Method for Calculation 131
433 Examples 135
44 Calculation of Total Electron Energy [1,159,160] 155
441 Calculation of Total Electron Energy of the SystemUsing Ionization Energy 157
442 Variational Treatment on the Energy of the He-Sequence Ground State with the WBEPTheory 158
443 Perturbation Treatment on the Energy
of the He-Sequence Ground State with the WBEPMTheory [160] 176
45 Electronegativity, Hard and Soft Acids and Bases, and the Molecular Design of Coordination Polymers 179
451 The Electronegativity Concept and Scale 179
452 The Nuclear Potential Scale of the Weakest Bound Electron [185,200]   180
453 The Hard-Soft-Acid-Base Concept and Scale  185
454 Molecular Design of Coordination Polymers  188
References  196
Representation Publications 207
Postscript      211
Index     213

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