DIFFRACTION OF LIGHT BY NONAQUEOUS ORDERED SUSPENSIONS
DIFFRACTION OF LIGHT BY NONAQUEOUS ORDERED SUSPENSIONS
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DOI：
10.1021/j100681a020
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发表时间：
1971-01-01
影响因子：
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通讯作者：
KRIEGER, IM
中科院分区：
文献类型：
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作者：
HILTNER, PA;PAPIR, YS;KRIEGER, IM
我们提出了一种无自旋的相互作用能微扰理论。我们讨论了处理第3节中提出的对称性问题的两种技术。一种方法利用了由式（2.11）得到的非唯一性，而第二种方法对n> 1时的[y（，i））施加了某些限制。事实上，存在着无限多的可能的微扰方案，并且在计算之外不存在评估它们的标准，这在微扰理论中对相互作用能量提出了一个严重的问题。作者感谢威斯康星州大学理论化学研究所的有益讨论和热情款待。
We have presented a spin-free formulation of perturbation theory for interaction energies. We discussed two techniques for treating the symmetry problem raised in section 3. One method utilizedexplicitly the nonuniqueness resulting from (2.11) while the second method placed certain restrictions on the[y (, i)) for n> 1. The fact that there exist an infinite number of possible perturbation schemes and that there exist no criteria outside of computationfor evaluating them, poses a serious problem in perturbation theory forinter-action energies.Acknowledgments. The authors acknowledge helpful discussions and hospitality at the Theoretical Chem-istry Institute at the University of Wisconsin.