A unified theoretical framework for mapping models for the multi-state   Hamiltonian

doi:10.1063/1.4967815

CORC > 北京大学 > 化学与分子工程学院

	A unified theoretical framework for mapping models for the multi-state Hamiltonian
	Liu, Jian
刊名	JOURNAL OF CHEMICAL PHYSICS
	2016
关键词	QUANTUM RELAXATION DYNAMICS ZERO-POINT ENERGY NONADIABATIC DYNAMICS CLASSICAL SIMULATIONS PHASE-SPACE EXPLORATION FLOW
DOI	10.1063/1.4967815
英文摘要	We propose a new unified theoretical framework to construct equivalent representations of the multistate Hamiltonian operator and present several approaches for the mapping onto the Cartesian phase space. After mapping an F-dimensional Hamiltonian onto an F+1 dimensional space, creation and annihilation operators are defined such that the F+1 dimensional space is complete for any combined excitation. Commutation and anti-commutation relations are then naturally derived, which show that the underlying degrees of freedom are neither bosons nor fermions. This sets the scene for developing equivalent expressions of the Hamiltonian operator in quantum mechanics and their classical/semiclassical counterparts. Six mapping models are presented as examples. The framework also offers a novel way to derive such as the well-known Meyer-Miller model. Published by AIP Publishing.; National Natural Science Foundation of China (NSFC) [21373018, 21573007]; Recruitment Program of Global Experts; Specialized Research Fund for the Doctoral Program of Higher Education [20130001110009]; Ministry of Science and Technology of China (MOST) [2016YFC0202803]; Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund (the second phase); SCI(E); ARTICLE; jianliupku@pku.edu.cn; 20; 145
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/458358]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Liu, Jian. A unified theoretical framework for mapping models for the multi-state Hamiltonian[J]. JOURNAL OF CHEMICAL PHYSICS,2016.
APA	Liu, Jian.(2016).A unified theoretical framework for mapping models for the multi-state Hamiltonian.JOURNAL OF CHEMICAL PHYSICS.
MLA	Liu, Jian."A unified theoretical framework for mapping models for the multi-state Hamiltonian".JOURNAL OF CHEMICAL PHYSICS (2016).