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    最弱受約束電子理論及應用(英文版)

    ...

    • ISBN:978-7-5478-6198-1
    • 作者:鄭能武 著,花蘭 譯
    • 定價:¥198 元
    • 出版時間:2023-08-01
    • 版次:01
    • 印次:01
    • 裝幀:
    • 紙張:
    • 開本:16
    • 字數:
    • 頁數:

          系統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,嚴格求解單電子薛定諤方程,得到能量和波函數的解析表達式;如何處理分子問題等。用大量示例展現該理論在物理學、化學、材料科學中的應用,以表明其準確性、簡便性和普適性,并指出未來的研究方向和前景。

    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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