(1s 2 2s 2 2p 6 3s 2 3p 2 ) 3 P S 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 3p | 6.425116 | -.14990222 |
| 2 | 4p | 1.518996 | .09629290 |
| 3 | 2p | 4.873214 | .52530018 |
| 4 | 2p | 1.374653 | -.82113770 |
| 5 | 3p | 2.214870 | -.34730115 |
| 6 | 2p | 11.777923 | .01608796 |
| 7 | 4p | 28.225892 | -.00045870 |
| 8 | 5p | 83.162132 | -.00001404 |
| ORB.ENERGY,a.u. | -1.255200 | ||
| NORM | 1.000000 | < R > | 1.768336 | < R2 > | 3.619581 | < 1/R > | .750243 | < 1/R**2 > | 1.240529 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.299745 | -.36824681 |
| 2 | 1s | 12.036333 | .16035803 |
| 3 | 2s | 5.874701 | -.18662094 |
| 4 | 3s | 2.331458 | .98296510 |
| 5 | 4s | 4.155688 | .20520400 |
| 6 | 3s | 17.026279 | .00407550 |
| 7 | 5s | 2.138075 | .07320971 |
| 8 | 4s | 53.735658 | -.00004971 |
| ORB.ENERGY,a.u. | -1.708600 | ||
| NORM | 1.000000 | < R > | 1.597238 | < R2 > | 2.922311 | < 1/R > | .845367 | < 1/R**2 > | 4.118168 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 19.997073 | .00297353 |
| 2 | 2p | 8.932096 | .44453568 |
| 3 | 3p | 6.904731 | .50869432 |
| 4 | 5p | 3.884109 | .00550275 |
| 5 | 4p | 5.519732 | .14834650 |
| 6 | 5p | 97.337973 | .00000207 |
| 7 | 4p | 28.000085 | -.00030201 |
| 8 | 3p | 5.453164 | .00098735 |
| 9 | 4p | 1.699151 | .00024576 |
| ORB.ENERGY,a.u. | -7.544900 | ||
| NORM | 1.000000 | < R > | .440579 | < R2 > | .241482 | < 1/R > | 2.956719 | < 1/R**2 > | 12.218816 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.016776 | .36652767 |
| 2 | 2s | 6.303142 | -.76630899 |
| 3 | 3s | 5.323979 | -.16167022 |
| 4 | 4s | 24.795443 | .00171973 |
| 5 | 2s | 5.321294 | -.19382094 |
| 6 | 3s | 17.629744 | .00661883 |
| 7 | 4s | 3.816308 | -.00282585 |
| 8 | 5s | 83.008758 | -.00001383 |
| 9 | 5s | 3.067286 | -.00028537 |
| 10 | 2s | 132.126286 | .00000101 |
| ORB.ENERGY,a.u. | -9.849800 | ||
| NORM | 1.000000 | < R > | .475040 | < R2 > | .267583 | < 1/R > | 3.077607 | < 1/R**2 > | 39.001411 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554348 | 1.01450978 |
| 2 | 2s | 20.552155 | -.02542932 |
| 3 | 3s | 12.065792 | .02050918 |
| 4 | 4s | 15.953768 | -.00019067 |
| 5 | 4s | 31.295800 | .00163060 |
| 6 | 2s | 68.333648 | .00001749 |
| 7 | 5s | 14.454826 | -.00550103 |
| 8 | 3s | 6.440339 | .00047280 |
| 9 | 4s | 4.536935 | -.00004673 |
| ORB.ENERGY,a.u. | -92.338000 |
| NORM | 1.000000 | < R > | .097143 | < R2 > | .012684 | < 1/R > | 15.567266 | < 1/R**2 > | 488.845812 |
Total Energy= -396.33272380 a.u.
Kinetic Energy= 396.33270877 a.u.
Potential Energy= -792.66543257 a.u.
Virial Ratio = -2.00000004