(1s 2 2s 2 2p 2 5d 1 ) 4 P F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 5d- electron | |
| 1 | 3d | .762349 | 1.62754667 |
| 2 | 4d | .688846 | -3.62766569 |
| 3 | 5d | .582358 | 2.73994188 |
| 4 | 3d | 3.188592 | .01900866 |
| 5 | 4d | .357659 | -.16605535 |
| 6 | 5d | 2.620994 | .01718943 |
| 7 | 4d | 5.982469 | -.00068970 |
| 8 | 5d | .355953 | .06373169 |
| ORB.ENERGY,a.u. | -.184700 | ||
| NORM | 1.000005 | < R > | 11.163163 | < R2 > | 141.675131 | < 1/R > | .125985 | < 1/R**2 > | .033849 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.761916 | .82362799 |
| 2 | 2p | 4.705816 | .20501770 |
| 3 | 2p | 10.293683 | .00849347 |
| 4 | 3p | 1.422129 | .01914465 |
| 5 | 4p | 3.231903 | -.01459547 |
| 6 | 5p | 21.550147 | -.00022818 |
| 7 | 5p | 1.800546 | -.01149495 |
| ORB.ENERGY,a.u. | -3.043500 | ||
| NORM | 1.000000 | < R > | .817613 | < R2 > | .822620 | < 1/R > | 1.577522 | < 1/R**2 > | 3.452692 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.460992 | .33180000 |
| 2 | 2s | 3.416614 | -.85005131 |
| 3 | 3s | 3.106298 | -.25849716 |
| 4 | 4s | 10.504288 | .01601155 |
| 5 | 3s | 12.127565 | .01079114 |
| 6 | 5s | 3.218572 | -.01352378 |
| 7 | 5s | 34.014405 | -.00012970 |
| 8 | 2s | 43.600521 | .00002822 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .880638 | < R2 > | .916711 | < 1/R > | 1.636857 | < 1/R**2 > | 10.909095 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.278179 | .68786221 |
| 2 | 1s | 12.188141 | .22286214 |
| 3 | 1s | 2.719923 | .00569492 |
| 4 | 2s | 9.052240 | .12781197 |
| 5 | 3s | 10.114174 | -.02752661 |
| 6 | 4s | 17.022706 | .00329953 |
| 7 | 5s | 4.848001 | -.00124974 |
| 8 | 5s | 52.893179 | -.00003456 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175224 | < R2 > | .041295 | < 1/R > | 8.645483 | < 1/R**2 > | 151.230472 |
Total Energy= -95.50532609 a.u.
Kinetic Energy= 95.50431733 a.u.
Potential Energy= -191.00964342 a.u.
Virial Ratio = -2.00001056