THE ORTHOGONALITY ASSUMPTION IN THE HARTREE–FOCK APPROXIMATION

THE ORTHOGONALITY ASSUMPTION IN THE HARTREE–FOCK APPROXIMATION
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DOI:
10.1139/p67-002
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发表时间:
1967
影响因子:
1.2
通讯作者:
C. Froese
C. Froese
中科院分区:
物理与天体物理4区
文献类型:
--
作者:
C. Froese

文献摘要

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几个程序被认为是保持nsn的1S激发态的单电子函数之间的正交性,以及正交性的一个较低的状态。结果进行了比较,没有任何正交约束。
Several procedures are considered for maintaining orthogonality between one-electron functions of the nsn's1S excited states as well as orthogonality to a lower state. The results are compared with those obtained without any orthogonality constraints.