(1s 2 2s 2 2p 6 3s 1 5s 1 ) 1 S P 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 5s- electron | |
| 1 | 1s | 12.218183 | .02358443 |
| 2 | 2s | 4.777859 | -.09714081 |
| 3 | 3s | 1.802336 | .64305436 |
| 4 | 4s | 1.265502 | -1.94761110 |
| 5 | 5s | .996485 | 1.90743904 |
| 6 | 5s | 16.234962 | -.00125002 |
| 7 | 4s | 3.553643 | -.01333761 |
| ORB.ENERGY,a.u. | -.470170 | ||
| NORM | .999998 | < R > | 6.423935 | < R2 > | 45.827482 | < 1/R > | .193375 | < 1/R**2 > | .181101 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .727924 | 2.16747827 |
| 2 | 1s | 13.065701 | .08589742 |
| 3 | 2s | 5.118666 | -.78990890 |
| 4 | 3s | 1.200858 | -1.36162981 |
| 5 | 4s | 2.822364 | .35575530 |
| 6 | 5s | 16.902354 | -.00446769 |
| 7 | 4s | 4.845412 | -.22911421 |
| 8 | 5s | .537219 | -.06173569 |
| 9 | 3s | .423660 | .09660810 |
| 10 | 3s | 53.748999 | -.00001732 |
| ORB.ENERGY,a.u. | -1.830200 | ||
| NORM | .999999 | < R > | 1.619692 | < R2 > | 3.225763 | < 1/R > | .857592 | < 1/R**2 > | 4.331510 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.132170 | .45646542 |
| 2 | 3p | 6.265491 | .49836975 |
| 3 | 4p | 5.014536 | .15181849 |
| 4 | 5p | 3.488774 | .00558932 |
| 5 | 2p | 17.830043 | .00427810 |
| 6 | 5p | 35.973525 | -.00014830 |
| 7 | 3p | 2.628205 | -.00488778 |
| 8 | 3p | 82.465300 | .00000222 |
| 9 | 4p | .805683 | .00002716 |
| ORB.ENERGY,a.u. | -6.644900 | ||
| NORM | 1.000000 | < R > | .480611 | < R2 > | .287787 | < 1/R > | 2.717419 | < 1/R**2 > | 10.355674 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.201380 | .36037882 |
| 2 | 2s | 6.046664 | -.82789223 |
| 3 | 3s | 5.154861 | -.30328987 |
| 4 | 4s | 22.859150 | .00218422 |
| 5 | 3s | 15.682063 | .00798355 |
| 6 | 2s | 2.484639 | -.00610007 |
| 7 | 5s | 42.022749 | .00011461 |
| 8 | 5s | .857361 | .00437723 |
| 9 | 4s | .731511 | -.00405002 |
| ORB.ENERGY,a.u. | -8.831700 | ||
| NORM | 1.000000 | < R > | .514068 | < R2 > | .313727 | < 1/R > | 2.839886 | < 1/R**2 > | 33.231030 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.570465 | 1.01434115 |
| 2 | 2s | 20.437310 | -.02221122 |
| 3 | 3s | 10.623284 | .01921633 |
| 4 | 4s | 58.216127 | -.00049865 |
| 5 | 4s | 10.103103 | .00282413 |
| 6 | 5s | 73.906037 | .00017630 |
| 7 | 5s | 12.491166 | -.00815723 |
| 8 | 2s | 2.443942 | -.00014559 |
| 9 | 2s | 3.068164 | .00026121 |
| 10 | 3s | 117.241483 | -.00001057 |
| ORB.ENERGY,a.u. | -80.779000 |
| NORM | 1.000000 | < R > | .103786 | < R2 > | .014482 | < 1/R > | 14.575255 | < 1/R**2 > | 428.684985 |
Total Energy= -337.21149110 a.u.
Kinetic Energy= 337.20691978 a.u.
Potential Energy= -674.41841088 a.u.
Virial Ratio = -2.00001356