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最弱受约束电子理论及应用（英文版）
作者：郑能武著
出版社：上海科学技术出版社
出版时间：2023-06-01
ISBN：9787547861981
定价：¥198.00
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内容简介
系统详尽地介绍了一种新的量子理论——最弱受约束电子理论（WBE Theory）。阐明如何从逐级电离和全同粒子角度，将体系哈密顿算符划分成单电子哈密顿算符的两种等效方法；如何从给定的解析式，严格求解单电子薛定谔方程，得到能量和波函数的解析表达式；如何处理分子问题等。用大量示例展现该理论在物理学、化学、材料科学中的应用，以表明其准确性、简便性和普适性，并指出未来的研究方向和前景
作者简介
郑能武：北京大学化学系本科毕业（学制六年）。中国科技大学理论化学和无机化学教授、博士生导师，享受国务院政府特殊津贴，执教41年。主要贡献有：首次提出新的量子理论（WBE Theory），发现元素电离能差分定律。出版中英文专著3部，合著、合译、合编教材和教学参考书5部，撰写科普书4部。在国内外学术期刊发表论文百余篇，其中，发在外刊上的论文（计73篇）全部被SCI收入。曾任中国科技大学应用化学系系主任、校学术委员会委员、校学位委员会委员。曾以教授身份应邀访问美国普渡（Purdue）大学。曾任Malaysian Journal Chemistry国际顾问委员会委员。
目录
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
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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