(1s 2 2s 2 2p 1 5p 1 ) 3 S P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 5p- electron | |
| 1 | 2p | 4.916427 | .40035289 |
| 2 | 3p | 2.345801 | -3.64118906 |
| 3 | 4p | 2.062340 | 9.63128105 |
| 4 | 5p | 2.073622 | -7.06375606 |
| 5 | 2p | 14.371765 | .00579086 |
| 6 | 5p | 5.981903 | .05823074 |
| 7 | 5p | 11.595158 | -.01009358 |
| ORB.ENERGY,a.u. | -2.125000 | ||
| NORM | 1.000000 | < R > | 3.437686 | < R2 > | 13.289741 | < 1/R > | .420397 | < 1/R**2 > | .616322 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.165957 | 1.08207328 |
| 2 | 3p | 7.537884 | -.09808171 |
| 3 | 2p | 14.895413 | .01469047 |
| 4 | 5p | 17.891851 | .00309017 |
| 5 | 4p | 33.319815 | -.00015591 |
| 6 | 5p | 6.386532 | .00380234 |
| 7 | 4p | 5.009159 | -.00093986 |
| ORB.ENERGY,a.u. | -17.212000 | ||
| NORM | 1.000000 | < R > | .396434 | < R2 > | .190235 | < 1/R > | 3.188569 | < 1/R**2 > | 13.759006 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.939272 | .37326359 |
| 2 | 2s | 5.671543 | -.80882391 |
| 3 | 3s | 8.193127 | -.28224545 |
| 4 | 4s | 28.087198 | .00137783 |
| 5 | 5s | 15.903593 | -.01069015 |
| 6 | 5s | 6.250878 | .01669220 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456559 | < R2 > | .243900 | < 1/R > | 3.211786 | < 1/R**2 > | 41.724077 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.162594 | .93047786 |
| 2 | 1s | 21.825639 | .06932309 |
| 3 | 2s | 12.845143 | .01910446 |
| 4 | 3s | 15.913730 | -.01659711 |
| 5 | 4s | 73.691147 | -.00006774 |
| 6 | 5s | 34.352047 | .00076060 |
| 7 | 4s | 5.249116 | .00002491 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102976 | < R2 > | .014206 | < 1/R > | 14.647515 | < 1/R**2 > | 431.974952 |
Total Energy= -278.21863894 a.u.
Kinetic Energy= 278.21928558 a.u.
Potential Energy= -556.43792452 a.u.
Virial Ratio = -1.99999768