(1s 2 2s 2 2p 2 5d 1 ) 2 P F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | .767639 | 1.58536357 |
| 2 | 4d | .700545 | -3.46584479 |
| 3 | 5d | .582699 | 2.64065961 |
| 4 | 3d | 2.911923 | .02728886 |
| 5 | 4d | .396497 | -.16452723 |
| 6 | 5d | 2.477284 | .02235232 |
| 7 | 4d | 6.705464 | .00053595 |
| 8 | 5d | .350537 | .02422407 |
| 9 | 3d | 11.208450 | .00006441 |
| ORB.ENERGY,a.u. | -.186180 | ||
| NORM | 1.000001 | < R > | 11.062333 | < R2 > | 139.201410 | < 1/R > | .127767 | < 1/R**2 > | .035444 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.770642 | .83339247 |
| 2 | 2p | 4.759285 | .19631445 |
| 3 | 2p | 10.374640 | .00814236 |
| 4 | 3p | 1.834039 | .01703650 |
| 5 | 4p | 3.346234 | -.01929532 |
| 6 | 5p | 21.244102 | -.00023209 |
| 7 | 5p | 2.024186 | -.00504348 |
| ORB.ENERGY,a.u. | -3.044900 | ||
| NORM | 1.000000 | < R > | .817887 | < R2 > | .823260 | < 1/R > | 1.577150 | < 1/R**2 > | 3.451351 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.429944 | .33387745 |
| 2 | 2s | 3.416450 | -.85164579 |
| 3 | 3s | 3.091353 | -.25923245 |
| 4 | 4s | 10.407706 | .01332429 |
| 5 | 3s | 11.407060 | .01135021 |
| 6 | 5s | 3.193160 | -.01126202 |
| 7 | 5s | 32.132452 | -.00006528 |
| 8 | 3s | 24.644346 | -.00024784 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .880658 | < R2 > | .916760 | < 1/R > | 1.636828 | < 1/R**2 > | 10.908733 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.278131 | .68790271 |
| 2 | 1s | 12.188829 | .22286134 |
| 3 | 1s | 2.664386 | .00551440 |
| 4 | 2s | 9.054411 | .12786416 |
| 5 | 3s | 10.134738 | -.02745035 |
| 6 | 4s | 17.035488 | .00335218 |
| 7 | 5s | 4.780857 | -.00125706 |
| 8 | 5s | 53.108524 | -.00003237 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175224 | < R2 > | .041295 | < 1/R > | 8.645497 | < 1/R**2 > | 151.230856 |
Total Energy= -95.50538059 a.u.
Kinetic Energy= 95.50578836 a.u.
Potential Energy= -191.01116895 a.u.
Virial Ratio = -1.99999573