This monograph describes the new quantum theory called the weakest bound electron theory (WBE theory) proposed by Prof. Neng-Wu Zheng and its applications. It starts with the fundamentals of quantum mechanics and then illustrates the key points of WBE theory and the mathematical expressions of WBE theory. Finally, it presents a wide range of applications of WBE theory to the chemical and physical properties of atoms and molecules, including energy levels, transition properties, the difference law of ionization energies etc. It appeals to a broad readership, particularly researchers and academics in chemistry, physics, and materials science.
Author(s): Neng-Wu Zheng
Publisher: Springer
Year: 2023
Language: English
Pages: 231
City: Singapore
Preface
Preface to the English Translation
References
About This Book
Contents
About the Author
1 The Basics of Quantum Mechanics for the Weakest Bound Electron (WBE) Theory
1.1 The Wave-Particle Duality
1.2 The Uncertainty Principle
1.3 The Schrodinger Equation
1.4 Electron Spin and Spin Orbital [3, 6–8]
1.5 The Indistinguishability of Micro Identical Particles
1.6 Pauli Exclusion Principle and Periodic Table
1.7 One of the Approximation Methods in Quantum Mechanics—The Variation Method
References
2 The Weakest Bound Electron Theory (1)
2.1 The Concept of the Weakest Bound Electron
2.2 Ionization Process and Aufbau-Like Process is Reversible
2.3 The One-Electron Hamiltonian for the Weakest Bound Electron
2.3.1 The Non-Relativistic One-Electron Hamiltonian for the Weakest Bound Electron
2.3.2 The Treatment of Magnetic Interaction Between Electrons
2.3.3 Relativistic Hamiltonian
2.4 The One-Electron Schrodinger Equation of the Weakest Bound Electron
2.5 The Key Points of the WBE Theory
References
3 The Weakest Bound Electron Theory (2)
3.1 Potential Function
3.2 The Solution of the Radial Equation
3.2.1 Spherical Harmonic
3.2.2 Generalized Laguerre Functions
3.2.3 Restore the Form of Hydrogen and Hydrogen-Like Atoms
3.2.4 The Definition and Properties of Generalized Laguerre Functions
3.2.5 The Proof of the Satisfaction of Hellmann–Feynman Theorem
3.3 Matrix Element and Mean Value of Radial Operator rk
3.4 The Exact Solutions of Scattering States in WBEPM Theory
3.5 The Formula for the Calculation of Fine Structure
3.6 Calculation of Spin–Orbit Coupling Coefficient
3.7 Relation Between the WBEPM Theory and Slater-Type Orbitals
References
4 The Application of the WBE Theory
4.1 Ionization Energy [1–10]
4.1.1 Introduction
4.1.2 Iso-spectrum-level Series and the Differential Law of Ionization Energy in the Series
4.1.3 Calculation of Ionization Energy
4.1.4 The Successive Ionization Energies of the 4fn Electrons for the Lanthanides [10]
4.2 Energy Level [39–50]
4.2.1 Introduction
4.2.2 Formulae for Calculating Energy Levels
4.2.3 Methods for Parameter Characterization
4.2.4 Examples
4.3 Calculation of Oscillator Strength, Transition Probability and Radiative Lifetime [88–104]
4.3.1 Introduction
4.3.2 Theory and Method for Calculation
4.3.3 Examples
4.4 Calculation of Total Electron Energy [1, 159, 160]
4.4.1 Calculation of Total Electron Energy of the System Using Ionization Energy
4.4.2 Variational Treatment on the Energy of the He-Sequence Ground State with the WBEP Theory
4.4.3 Perturbation Treatment on the Energy of the He-Sequence Ground State with the WBEPM Theory [160]
4.5 Electronegativity, Hard and Soft Acids and Bases, and the Molecular Design of Coordination Polymers
4.5.1 The Electronegativity Concept and Scale
4.5.2 The Nuclear Potential Scale of the Weakest Bound Electron [185, 200]
4.5.3 The Hard-Soft-Acid-Base Concept and Scale
4.5.4 Molecular Design of Coordination Polymers
References
Representation Publications
Postscript
Index
