Floating Wave Functions for H2+ and H2
Floating Wave Functions for H2+ and H2
复制标题
H2 和 H2 的浮点波函数
DOI：
10.1063/1.1744285
复制
发表时间：
1958
期刊：
影响因子：
--
通讯作者：
Darrell D. Ebbing
中科院分区：
文献类型：
--
作者：
H. Shull;Darrell D. Ebbing
浮波函数使用普通的1s轨道重新检查H2+和H2。以前在文献中报道的结果被发现是错误的。新获得的能量高得惊人。据解释，这些相对较差的能量在很大程度上是由于这种近似不能很好地表示核附近波函数中的不连续性。
Floating wave functions using ordinary 1s orbitals are reexamined for both H2+ and H2. Results previously reported in the literature are found to be in error. The newly obtained energies are disappointingly high. It is conjectured that these relatively poor energies are largely the result of the inability of this kind of approximation to give a good representation of the discontinuities in the wave function in the vicinity of the nuclei.