(1s 2 2s 2 2p 1 4p 1 ) 1 S P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 4p- electron | |
| 1 | 2p | 6.188463 | .22509196 |
| 2 | 3p | 2.865004 | -.97188625 |
| 3 | 5p | 2.848073 | 1.40291888 |
| 4 | 4p | 4.127223 | -.30331917 |
| 5 | 5p | 7.879958 | .05564604 |
| 6 | 4p | 15.816074 | -.00443162 |
| 7 | 5p | 2.471475 | .20866547 |
| 8 | 5p | 37.611441 | -.00051205 |
| 9 | 4p | 57.758306 | -.00009513 |
| ORB.ENERGY,a.u. | -3.331800 | ||
| NORM | 1.000000 | < R > | 2.151005 | < R2 > | 5.215886 | < 1/R > | .595574 | < 1/R**2 > | .677200 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.158971 | 1.03846765 |
| 2 | 3p | 3.340040 | -.12291197 |
| 3 | 2p | 13.467996 | .03094483 |
| 4 | 5p | 10.736173 | -.01807633 |
| 5 | 5p | 2.737933 | .14795414 |
| 6 | 4p | 29.089072 | -.00065913 |
| 7 | 3p | 47.635452 | -.00002440 |
| ORB.ENERGY,a.u. | -16.954000 | ||
| NORM | 1.000000 | < R > | .401388 | < R2 > | .232289 | < 1/R > | 3.254928 | < 1/R**2 > | 14.317056 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.939192 | .37293840 |
| 2 | 2s | 5.669393 | -.80861706 |
| 3 | 3s | 8.201502 | -.28214330 |
| 4 | 4s | 27.840153 | .00150229 |
| 5 | 5s | 15.843582 | -.01008539 |
| 6 | 5s | 6.241024 | .01532857 |
| 7 | 4s | 2.739775 | .00028129 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456950 | < R2 > | .244345 | < 1/R > | 3.208954 | < 1/R**2 > | 41.656693 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.162730 | .93078136 |
| 2 | 1s | 21.857290 | .06897656 |
| 3 | 2s | 12.872408 | .01923827 |
| 4 | 3s | 15.968595 | -.01666964 |
| 5 | 4s | 73.956576 | -.00006775 |
| 6 | 5s | 34.203738 | .00077200 |
| 7 | 4s | 4.276806 | .00001338 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102985 | < R2 > | .014209 | < 1/R > | 14.646627 | < 1/R**2 > | 431.933509 |
Total Energy= -279.48084110 a.u.
Kinetic Energy= 279.42499589 a.u.
Potential Energy= -558.90583699 a.u.
Virial Ratio = -2.00019986