(1s 2 2s 2 2p 2 4d 1 ) 2 P F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2142.
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 | 4d- electron | |
| 1 | 3d | .935111 | 1.25109464 |
| 2 | 4d | .757005 | -1.66665722 |
| 3 | 3d | 3.155517 | .03053129 |
| 4 | 5d | 1.560938 | -.07601130 |
| 5 | 4d | 4.195953 | -.00428887 |
| 6 | 5d | 12.896094 | -.00009384 |
| ORB.ENERGY,a.u. | -.292940 | ||
| NORM | 1.000000 | < R > | 6.650954 | < R2 > | 50.845316 | < 1/R > | .202477 | < 1/R**2 > | .069896 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.758886 | .83343314 |
| 2 | 2p | 4.752478 | .19935063 |
| 3 | 2p | 10.408024 | .00803340 |
| 4 | 3p | 1.664746 | .02171490 |
| 5 | 4p | 3.264250 | -.02313187 |
| 6 | 5p | 21.055058 | -.00022938 |
| 7 | 5p | 1.957045 | -.00956784 |
| ORB.ENERGY,a.u. | -2.958300 | ||
| NORM | 1.000000 | < R > | .818524 | < R2 > | .824779 | < 1/R > | 1.576307 | < 1/R**2 > | 3.448339 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.429348 | .33379397 |
| 2 | 2s | 3.417079 | -.85123279 |
| 3 | 3s | 3.092012 | -.25914668 |
| 4 | 4s | 10.391242 | .01328318 |
| 5 | 3s | 11.386557 | .01144260 |
| 6 | 5s | 3.172200 | -.01223783 |
| 7 | 5s | 31.991496 | -.00006660 |
| 8 | 3s | 24.618454 | -.00025074 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .881081 | < R2 > | .917811 | < 1/R > | 1.636186 | < 1/R**2 > | 10.901156 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.278377 | .68788552 |
| 2 | 1s | 12.188251 | .22285192 |
| 3 | 1s | 2.694262 | .00562040 |
| 4 | 2s | 9.053216 | .12782287 |
| 5 | 3s | 10.120154 | -.02746265 |
| 6 | 4s | 17.032246 | .00330490 |
| 7 | 5s | 4.818490 | -.00125594 |
| 8 | 5s | 52.803399 | -.00003436 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175222 | < R2 > | .041295 | < 1/R > | 8.645537 | < 1/R**2 > | 151.231957 |
Total Energy= -95.61124435 a.u.
Kinetic Energy= 95.61255470 a.u.
Potential Energy= -191.22379905 a.u.
Virial Ratio = -1.99998630