弱射频场存在下密度算符演化的描述

采用一种密度算符方法描述弱射频场存在下弱偶合自旋体系(I=1/2)的密度算符的演化,具体分析了自旋轻扰实验和显示自旋为1/2的原子核旋量特性的实验。     

描述高自旋体系的密度算符方法

提出了一种描述高自旋弱偶合体系NMR实验谱的密度算符方法,给出了高自旋体系密度算符在自旋偶合作用下的演化公式。以氘核(²D)为例,计算了重聚INEPT和同核COSY实验谱。     

液体高自旋系统的脉冲作用与传播子

用Ｌｉｏｕｖｉｌｌｅ空间投影算符作基，利用虚拟转动对基作用的性质来解决核磁共振中在脉冲和系统哈密顿作用下，高自旋系统弱耦合理论。给出演化公式及脉冲算符的解析分解． 关键词：     

强偶合AB体系NMR实验的密度算符演化描述

提出一种描述自旋为1/2的强偶AB自旋体系多脉冲NMR实验的密度算符演化的方法,推导了自旋算符的自由演化公式,具体描述了极化转移INEPT实验和二维DQ-INADEQUATE实验。该方法物理意义直观,计算量较小。     

应用积算符理论研究弱耦合双自旋体系的Raman磁共振谱

从积算符理论和实验上详细地研究了弱耦合双自旋体系（CHCl₃的C-H双自旋体系）的Raman磁共振谱．对不同射频场强度及频偏的Raman谱进行了细致的理论和实验研究，表明积算符理论的计算与实验不仅在弱射频场而且在强射频场时都符合得相当好，克服了微扰论的局限，这为进一步研究复杂自旋体系的Raman谱提供了强有力的理论方法．研究还表明，小的射频频偏将有利于多量子跃迁信号的观测，而适当的射频场强则会提高多量子峰的强度 关键词：     

描述高自旋弱耦合系统的广义积算符

本文提出了Z算符与角动量积算符相结合的广义积算符,用于描述高自旋弱耦合系统NMR实验谱。给出了高自旋系统在自旋耦合作用下的演变公式,Z算符在脉冲作用下的变化公式。以氘(D)为例,计算了重聚INEPT,DEPT和同核COSY实验谱,并对计算方法作了讨论。     

自旋交换算符在量子力学中的应用

根据自旋交换算符的性质,讨论了自旋交换算符在量子力学中的某些应用,这一方法为两体自旋耦合体系的求解提供了方便的途径.     

当能级间隔较小时三能级核四极共振自旋系统对脉冲的响应

用虚拟自旋—１／２算符理论考察了Ｉ＝１的核四极共振自旋系统在其能级间隔较小时对１—２个脉冲的响应．由于核四极相互作用表象中的射频场与核自旋的相互作用（Ｈｎ）包含时间．因而用Ｄｙｓｏｎ时序算符来计算密度算符在Ｈｎ作用下的演化．     

当能级间隔较小时三能级核四极共振自旋系统对脉冲的响应

用虚拟自旋-1/2算符理论考察了I=1的核四极共振自旋系统在其能级间隔较小时对1-2个脉冲的响应.由于核四极相互作用表象中的射频场与核自旋的相互作用(H_rf)包含时间,因而用Dyson时序算符来计算密度算符在H_rf作用下的演化.     

14N核四极共振中自旋锁定的偏共振效应

用虚拟自旋-1/2算符理论计算了核四极共振自旋系统在自旋锁定脉冲序列作用下的时间演化,获得了自旋锁定信号随锁定脉冲长度和射频频率偏置的变化关系。如果不考虑准备脉冲期间射频频率偏置的影响,那么可简单地用核磁共振中的矢量模型来解释自旋锁定这一现象。 关键词：     

Controllability of spin 1 systems and realization of ternary SWAP gate in two spin 1 systems coupled with Ising interaction

In this paper,we investigate the controllability of spin 1 systems and the realization of ternary gates.Using dipole and quadrupole operators as the orthogonal basis of su(3) algebra,we discuss the controllability of one spin 1 systems and offer the concept of a complete set of control operators first.Then we present the controllability of two spin 1 systems coupled with Ising interaction and the transforming relations of the drift process of the system.Finally the specific realization of the ternary SWAP gate in these systems is discussed.It takes 9 drift processes and 25 basic control processes.     

Derivation of Some Translation-Invariant Lindblad Equations for a Quantum Brownian Particle

We study the dynamics of a Brownian quantum particle hopping on an infinite lattice with a spin degree of freedom. This particle is coupled to free boson gases via a translation-invariant Hamiltonian which is linear in the creation and annihilation operators of the bosons. We derive the time evolution of the reduced density matrix of the particle in the van Hove limit in which we also rescale the hopping rate. This corresponds to a situation in which both the system-bath interactions and the hopping between neighboring sites are small and they are effective on the same time scale. The reduced evolution is given by a translation-invariant Lindblad master equation which is derived explicitly.     

Product Operator Theory for Spin‐5/2 Nuclei: Application to 2D J‐Resolved NMR Spectroscopy

Product operator theory is a simple quantum mechanical method that has often been used to analytically describe multi‐pulse NMR experiments for weakly coupled spin systems. Considering the existence of 2D‐J resolved NMR spectra of aqueous solutions containing S = 5/2 nuclear spins, the product operator formalism has been extended to the weakly coupled IS (I = 1/2, S = 5/2) spin system. The evolution of I_x, I_y, I_xS_z and I_yS_z product operators under spin–spin coupling Hamiltonian are given here. The analytical results obtained are applied to the well‐known gated decoupler pulse sequence for heteronuclear 2D‐J resolved NMR spectroscopy.     

Mean motion of Dirac electrons in a gravitational field

A sequence of Foldy-Wouthuysen transformations applied to the Dirac equation coupled to a background gravitational field is used to obtain evolution equations for the mean position, mean momentum, and mean spin operators. These equations are compared with the analogous Papapetrou equations for a classical gravitationally coupled pole-dipole particle.     

Measurement of Small One-Bond Proton–Carbon Residual Dipolar Coupling Constants in Partially Oriented C Natural Abundance Oligosaccharide Samples: Analysis of Heteronuclear JCH-Modulated Spectra with the BIRD Inversion Pulse

Two 2D J-modulated HSQC-based experiments were designed for precise determination of small residual dipolar one-bond carbon–proton coupling constants in ¹³C natural abundance carbohydrates. Crucial to the precision of a few hundredths of Hz achieved by these methods was the use of long modulation intervals and BIRD pulses, which acted as semiselective inversion pulses. The BIRD pulses eliminated effective evolution of all but ¹J_CH couplings, resulting in signal modulation that can be described by simple modulation functions. A thorough analysis of such modulation functions for a typical four-spin carbohydrate spin system was performed for both experiments. The results showed that the evolution of the ¹H–¹H and long-range ¹H–¹³C couplings during the BIRD pulses did not necessitate the introduction of more complicated modulation functions. The effects of pulse imperfections were also inspected. While weakly coupled spin systems can be analyzed by simple fitting of cross peak intensities, in strongly coupled spin systems the evolution of the density matrix needs to be considered in order to analyse data accurately. However, if strong coupling effects are modest the errors in coupling constants determined by the “weak coupling” analysis are of similar magnitudes in oriented and isotropic samples and are partially cancelled during dipolar coupling calculation. Simple criteria have been established as to when the strong coupling treatment needs to be invoked.