(1s 2 2s 2 2p 4 5p 1 ) 4 D P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 4.260793 | .20482121 |
| 2 | 3p | 1.874956 | -2.30384190 |
| 3 | 4p | 1.716916 | 4.57468603 |
| 4 | 5p | 1.484936 | -3.02938580 |
| 5 | 2p | 8.871603 | .04455390 |
| 6 | 5p | 14.222589 | .00259580 |
| 7 | 4p | 33.869588 | -.00011271 |
| ORB.ENERGY,a.u. | -1.117300 | ||
| NORM | 1.000000 | < R > | 4.574111 | < R2 > | 23.522636 | < 1/R > | .314272 | < 1/R**2 > | .365130 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.129390 | 1.17901155 |
| 2 | 3p | 5.953792 | -.24908387 |
| 3 | 2p | 11.537631 | .06743692 |
| 4 | 4p | 13.529278 | .01237234 |
| 5 | 5p | 35.394131 | -.00014479 |
| 6 | 5p | .905448 | .00013943 |
| 7 | 4p | 4.606811 | -.00134970 |
| ORB.ENERGY,a.u. | -10.993000 | ||
| NORM | 1.000000 | < R > | .440927 | < R2 > | .238569 | < 1/R > | 2.913139 | < 1/R**2 > | 11.695967 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.023867 | .38704014 |
| 2 | 2s | 6.251154 | -.85694019 |
| 3 | 3s | 5.530082 | -.30505651 |
| 4 | 4s | 16.913612 | .00991724 |
| 5 | 3s | 20.591260 | .00565966 |
| 6 | 5s | 30.552604 | .00087464 |
| 7 | 5s | 6.363467 | .01537776 |
| 8 | 4s | 3.348356 | .00030919 |
| 9 | 2s | 72.265547 | .00001335 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489554 | < R2 > | .282428 | < 1/R > | 2.983690 | < 1/R**2 > | 36.412304 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.210532 | .92279665 |
| 2 | 1s | 20.928426 | .07367637 |
| 3 | 2s | 8.774251 | .02038330 |
| 4 | 3s | 10.777029 | -.02031995 |
| 5 | 4s | 13.356192 | .00940894 |
| 6 | 5s | 35.791416 | .00084853 |
| 7 | 4s | 85.152961 | -.00003801 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103540 | < R2 > | .014397 | < 1/R > | 14.596654 | < 1/R**2 > | 429.653424 |
Total Energy= -317.80064801 a.u.
Kinetic Energy= 317.80470048 a.u.
Potential Energy= -635.60534849 a.u.
Virial Ratio = -1.99998725