声明
Introduction
Chapter 1 Basis Set
1.1 Slater and Gaussian Type Orbitals
1.2 Classification of Basis Set
1.3 The Basis Set Used in this Work
Chapter 2 Hartree-Fock
2.1 Brief history of Hartree-Fock method
2.2 Schr?dinger's Equation
2.3 Hartree-Fock method
Chapter 3 Density Function Theory
3.1 Brief History
3.2 Kohn-Sham Self-consistent Field Method
3.3 Density Functional Dispersion Correction
3.4 DFT Functionals
Chapter 4 Excited State, Charge Transfer and Electronic Spectroscopy
4.1 Excited State
4.2 Charge Transfer
4.3 Electronic Spectroscopy.
Chapter 5 Intermolecular Co-pigmentation for the Color Stabilization Effect of the Anthocyanin
5.1 Introduction
5.2 Computational Section
5.3 Results and discussion
5.4 Conclusions
Chapter 6 Intramolecular Co-pigmentation for the Color Stabilization Effect of the Anthocyanin.
6.1 Introduction of intramolecular copigmentation
6.2 Computational details
6.3 Results and discussion
6.4 Conclusions
Conclusions and Perspective
参考文献
Notes on publications and participation in scientific research
Appendix
致谢
天津大学;
