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刘老师您好! 关于哈密顿量,我看程序的可视化界面上写的是H=∑JSmSn,而文章(doi:10.1021/acs.jpclett.0c01911)中则写的是H=-(1/2)∑JSiSj。 后者文章中式子所得的J,已经考虑到了求和过程中相互作用被重复计算的问题。那么程序的输入文件是直接使用这个J,还是要乘以1/2再作为参数输入呢?
The text was updated successfully, but these errors were encountered:
您好! 程序内建立哈密顿量时会自动识别并忽略重复的相互作用,所以不需要乘以1/2。
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好的,多谢刘老师!以及如果引用文章的话,引Applied Surface Science 480(2019),还是这篇JPCL呢?
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刘老师您好!
关于哈密顿量,我看程序的可视化界面上写的是H=∑JSmSn,而文章(doi:10.1021/acs.jpclett.0c01911)中则写的是H=-(1/2)∑JSiSj。
后者文章中式子所得的J,已经考虑到了求和过程中相互作用被重复计算的问题。那么程序的输入文件是直接使用这个J,还是要乘以1/2再作为参数输入呢?
The text was updated successfully, but these errors were encountered: