The results show that the inter-site electron& electron Coulomb repulsion leads to transfers of charge density and spin density between different sites on the main chain and side radicals.

On the basis of optimized geometries, the charge densities, spin density, bond orders and electronic spectra of above molecule and cation have been calculated.

以优化构型为基础计算其电荷密度、自旋密度、键序和电子光谱。

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Moreover, the influences of the non-nearest neighbor hopping interactions and electron-phonon coupling on the distribution of the charge density and spin density are also discussed.

此外，对系统中的电荷密度和自旋密度分布受非最近邻电子跳跃相互作用和电-声耦合的影响情况亦进行了讨论。

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The spin density of free radical mostly concentrates on C2 or C3 and has no large diffusion. They are the key part of reactivity.

自由基自旋密度主要集聚在C2或C3上，未有较大弥散，同时也是前线MO主要布居位置和重要的反应活性部位。

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Previous studies focused on the exploitation of magnetic mechanism as well as effects of electron-electron correlation and boundary conditions on spin density wave in such material.

之前，这方面的理论工作主要集中于对磁性分子磁性机制的理解，包括对电子&电子关联，自旋密度波以及边界效应的研究。

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The Superconducting Transition Temperature of 2+ 1 Dimensional BCS-type Superconductor in the Presence of the Spin Density Wave

2+1维BCS型超导体的相变温度与自旋密度波的关系

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The Effect of Spin Density Wave on 2+ 1 Dimensional BCS-type Superconductors with the Next Nearest Neighbor Interaction

自旋密度波对有次近邻互作用超导体的影响

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Doping can excite a charge density wave weakening the spin density wave against the stability of the ferromagnetic state.

掺杂能激发电荷密度波，从而削弱了自旋密度波，最终不利于铁磁态的稳定。

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Magnetic Properties and Spin Density Maps for Rare Earth-Transition Metal Complexes: A Density Functional Study

密度泛函理论方法研究稀土-过渡金属化合物的磁性和自旋密度图

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Quantitative magnetic resonance imaging of spin density ρ, relaxation times T1 and T2

自旋密度ρ、弛豫时间T1和T2定量磁共振成像

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Polarized neutron diffraction and its application to spin density studies

极化中子衍射及在电子自旋密度研究中的应用

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H-Abstraction from p-Substituted Benzaldehydes by Bis-perfluoroalkyl Nitroxides ── A New Attempt for Establishing Substituent Constants of Spin Delocalization σ by EPR Method

双－全氟烷基氮氧自由基从取代苯甲醛的攫氢反应&用EPR方法建立取代基自旋离域参数σ的新尝试

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Magnetic coupling exhibits the spin delocalization effect from Mn and Cu atoms to the bridging atoms, and doesn't reveal metallically magnetic properties.

磁性耦合来源于铜和锰原子向桥联原子的自旋退局域化效应，且具有磁性特征但不具有金属性特征。

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The Mulliken population analyses show that in the title complexes there is a spin delocalization mechanism of magnetic coupling through the bridges.

Mulliken自旋布居分析表明，无论是三唑桥还是异硫氰酸根桥，它们的磁交换作用机理都是磁中心的自旋离域。

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The analysis of the spin density distribution reveals that both the spin polarization and spin delocalization contribute to the antiferromagnetic interaction.

自旋密度分布表明，两相中自旋极化效应和自旋离域效应相互作用的结果导致体系表现为反铁磁相互作用。

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Once a magnetic field is applied to the system, the spin degeneracy is broken and the energy of the electron is cut into two energy levels. The whole tunnelling process of the electron through the quantum dot is described by quantum master equation.

当该系统中存在一个外加磁场时，电子的自旋简并被破坏，分裂成两个能级，电子的整个隧穿过程可以用量子主方程（Quantum Master equation）来描述。

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It is demonstrated by the numerical evaluations that Dresselhaus spin-orbit coupling eliminates the spin degeneracy and leads to the splitting of asymmetric Fano-type resonance peaks in the conductivity.

数值计算结果表明Dresselhaus自旋轨道耦合不仅可以消除自旋简并，而且可以导致不对称Fano共振电导峰的劈裂。

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The relative signs of coupling constants in ABX system for isophytol were determined using two methods of double resonance: selective spin decoupling and spin tickling methods.

本文分别用双共振选择性自旋去耦、双共振自旋搔动方法判定异植物醇中ABX体系耦合常数的相对符号为同号。

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The reason is the coexistence of large Peierls gap and spin split. 3.3 The current spin polarization is sensitively dependent on the spin dependent interfacial coupling between magnetic molecule and electrode.

有机铁磁内较大的派尔斯能隙和自旋劈裂的同时存在是产生自旋过滤的原因。3.3器件的电流自旋极化率同分子和电极的自旋相关界而耦合有密切关系。

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We discuss a new calculation model& Spin Polarized model in coupling Presentation ( SPCP), which is based on spin polarized X α method, involving the relativistic effect and the electron spin at the same time.

以相对论的Xα方程为基础，提出了一种新的计算模型，即耦合表象下的自旋极化模型。

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Current-induced spin polarization in spin-orbit coupling systems

自旋轨道耦合系统中的电流导致的自旋极化

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