Static Dipole Polarizability of N-Octane Calculated With MinPol Basis Sets
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We present a systematic study of the dipole polarizability of n-octane. Our investigation relies on the recently proposed minimally polarized basis sets (MinPOL). It is shown that these small basis sets yield values for the mean and the anisotropy of the polarizability convincingly close to the available experimental results.
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|---|---|---|---|
| æè¦æµè§æ¬¡æ° | 202 | 23 | 6 |
| å ¨ææµè§æ¬¡æ° | 7 | 0 | 0 |
| PDFä¸è½½æ¬¡æ° | 5 | 0 | 0 |
Static Dipole Polarizability of N-Octane Calculated With MinPol Basis Sets
äºComputing LettersSearch for other papers by George Maroulis in
Current site
Google Scholar
PubMed
We present a systematic study of the dipole polarizability of n-octane. Our investigation relies on the recently proposed minimally polarized basis sets (MinPOL). It is shown that these small basis sets yield values for the mean and the anisotropy of the polarizability convincingly close to the available experimental results.
| å ¨é¨æé´ | è¿å»ä¸å¹´ | è¿å»30天 | |
|---|---|---|---|
| æè¦æµè§æ¬¡æ° | 202 | 23 | 6 |
| å ¨ææµè§æ¬¡æ° | 7 | 0 | 0 |
| PDFä¸è½½æ¬¡æ° | 5 | 0 | 0 |
