Theory of Atomic, Molecular, and Optical Processes

这一建议致力于发展新的非微扰理论形式和含时方法，用于详细从头研究强外场存在下多电子里德堡原子和双原子分子系统的电子结构和量子动力学。所考虑的问题包括：1)微波场中一价电子里德堡原子的结构和动力学。2)发展了处理多电子里德堡体系电子结构的自相互作用自由密度泛函理论。3)用含时密度泛函理论(TDDFT)研究含时场中复杂里德堡原子的多光子量子动力学。

This proposal addresses the development of new nonperturbative theoretical formalisms and time-dependent methods for detailed ab initio investigation of the electronic structure and quantum dynamics of many-electron Rydberg atomic and diatomic molecular systems in the presence of intense external fields. Problems considered include: 1) Structure and Dynamics of One-Valence-Electron Rydberg Atoms in Microwave Fields. 2) Development of Self-Interaction-Free Density Functional Theories for the Treatment of the Electronic Structure of Many-Electron Rydberg Systems. 3) Time-Dependent Density Functional Theory (TDDFT) for the Treatment of Multiphoton Quantum Dynamics of Complex Rydberg Atoms in Time-Dependent Fields.