Name | Modified | Size | Downloads / Week |
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README.txt | 2015-11-14 | 475 Bytes | |
int1Nov5.pdf | 2015-11-14 | 266.7 kB | |
r12STO.pdf | 2015-11-14 | 466.6 kB | |
SHsquared.pdf | 2015-11-14 | 45.5 kB | |
Totals: 4 Items | 779.3 kB | 0 |
README Nov5 file r12STO.pdf is a paper with references. Reference 1 ( SHsquared.pdf) and Referemce 5 (int1Nov5.pdf) are reproduced. r12STOmolecular is about inter-electronic distances and many centered STOs. This is not a finished project. Presently it offers an IPython 2.7 notebook using pure Python mpmath to evaluate diatomic exchange integrals based on analytic formula for beta=0, alpha1=alpha2. Uncomment examples at bottom of script to run program.