(1s 2 2s 2 2p 5 4p 1 ) 3 S P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 6.923493 | .18437353 |
| 2 | 3p | 1.179407 | 2.40538653 |
| 3 | 4p | 2.676161 | -1.23077768 |
| 4 | 5p | 4.878475 | -.16031535 |
| 5 | 3p | 13.531357 | -.00790049 |
| 6 | 5p | 1.364545 | -.80223607 |
| 7 | 4p | 19.299028 | .00199986 |
| 8 | 3p | 27.703172 | .00028960 |
| 9 | 4p | .459032 | -.00040136 |
| ORB.ENERGY,a.u. | -1.401700 | ||
| NORM | 1.000000 | < R > | 3.076716 | < R2 > | 10.706826 | < 1/R > | .458971 | < 1/R**2 > | .637981 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.851016 | 1.22852336 |
| 2 | 3p | 5.726452 | -.30762414 |
| 3 | 2p | 11.294986 | .07598860 |
| 4 | 4p | 13.492970 | .01379702 |
| 5 | 4p | 2.694343 | .00165423 |
| 6 | 5p | 1.938445 | -.00207069 |
| 7 | 4p | 63.141789 | .00001742 |
| ORB.ENERGY,a.u. | -9.205900 | ||
| NORM | 1.000000 | < R > | .459772 | < R2 > | .261182 | < 1/R > | 2.815429 | < 1/R**2 > | 11.015606 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.144243 | .37183665 |
| 2 | 2s | 6.142027 | -.83373989 |
| 3 | 3s | 5.430844 | -.30257804 |
| 4 | 4s | 18.607685 | .00388477 |
| 5 | 3s | 17.170201 | .00699415 |
| 6 | 5s | 36.635385 | .00041253 |
| 7 | 5s | 4.852559 | -.00350368 |
| 8 | 4s | 2.624850 | .00051031 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501652 | < R2 > | .297515 | < 1/R > | 2.909816 | < 1/R**2 > | 34.757922 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204052 | .92331088 |
| 2 | 1s | 20.991219 | .07298768 |
| 3 | 2s | 8.538167 | .02103196 |
| 4 | 3s | 10.643591 | -.02133107 |
| 5 | 4s | 13.384271 | .01070820 |
| 6 | 5s | 35.397228 | .00078672 |
| 7 | 4s | 81.737850 | -.00004409 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103678 | < R2 > | .014444 | < 1/R > | 14.584572 | < 1/R**2 > | 429.106783 |
Total Energy= -327.69051073 a.u.
Kinetic Energy= 327.71728640 a.u.
Potential Energy= -655.40779713 a.u.
Virial Ratio = -1.99991830