ON CALCULATIONS OF THE DIPOLE MOMENT FROM THE ELECTRON DENSITY DATA
In the paper we discuss how to calculate the dipole moment using the electron density data. A few numerical methods are compared. We have found that usually the interpolation of electron density gives the most accurate results.
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Gdańsk University of Technology
2002-10-01
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| Series: | TASK Quarterly |
| Subjects: | |
| Online Access: | https://journal.mostwiedzy.pl/TASKQuarterly/article/view/2228 |