自旋密度 meaning in Chinese
spin density
unpaired electron density
Examples
- Also , the effect of density of side spins on correlation strength is investigated
此外，我们还考察了侧自旋密度对关联长度的影响。 - 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 - For experimental measurement . the spin density distributions are in detail discussed on the basis of mulliken population analysis , taking into account the coexistence of spin delocalization and spin polarization mechanisms . for
密度泛函自旋密度自旋极化自旋离域分子磁性中图分类号： - Using above method with theories , we have computed the magnetic exchange coupling constants j values about ( vivo ) cr [ 1 ( cn ) 6 ] 2 / 3 . 10 / 3h2o compound and [ mo2 ( cn ) 11 ] 5 compound , respectively . the j values are equal to - 42 . 36cm - 1 and - 111 . 46cm - 1 , respectively
然后，分别对这两种配合物自旋密度分布加以分析，两种配合物中金属离子上的成单电子几乎是定域的，其自旋极化占主导作用。 - In consideration of the calculation measures and the purpose of study , we selected the simple molecule model 5 in the above models and studied the relation between magnetism and structure . the molecular antiferromagnetism increases with the increasing of the bridging angle o - c - o ( o ) . when 0 > 118 . 623 degrees , the molecular antiferromagnetism increases with the decreasing of the spin density on the cu in its triplet state
考虑到计算量及研究目的，在上面的模型中选取了较简单的分子模型5 ，来研究其磁构效关系，分子的反铁磁性随桥联角o - c - o夹角的增大而增强，在大于118 . 623度时，分子的反铁磁性随三重态铜上自旋密度的减小而增强，但当小于118 . 623度，分子反铁磁性随三重态铜上自旋密度的减小反而减小，在文中，我们解释了这种现象。