(1s 2 2s 2 2p 6 3s 1 5d 1 ) 1 D P 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 1.156594 | 1.01075893 |
| 2 | 4d | .836864 | -4.35066757 |
| 3 | 5d | .820059 | 4.03761466 |
| 4 | 3d | 2.756447 | .18054148 |
| 5 | 4d | 3.339190 | -.09160057 |
| 6 | 5d | 6.531965 | -.00708726 |
| 7 | 3d | 9.341714 | .00101757 |
| ORB.ENERGY,a.u. | -.335730 | ||
| NORM | 1.000007 | < R > | 8.122456 | < R2 > | 75.394647 | < 1/R > | .179201 | < 1/R**2 > | .075009 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.278999 | -.08375333 |
| 2 | 1s | 11.947202 | .00774823 |
| 3 | 1s | 12.160508 | .11822312 |
| 4 | 2s | 5.122890 | -.39490952 |
| 5 | 3s | 2.172674 | .81632895 |
| 6 | 4s | 3.099767 | .32642457 |
| 7 | 5s | 15.287745 | -.00616968 |
| 8 | 4s | 30.828862 | .00027033 |
| 9 | 3s | .698463 | .00045009 |
| ORB.ENERGY,a.u. | -1.830200 | ||
| NORM | 1.000000 | < R > | 1.625054 | < R2 > | 2.994772 | < 1/R > | .833211 | < 1/R**2 > | 4.049360 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.131813 | .45667588 |
| 2 | 3p | 6.265264 | .49823288 |
| 3 | 4p | 5.014460 | .15176027 |
| 4 | 5p | 3.452882 | .00575995 |
| 5 | 2p | 17.853916 | .00425837 |
| 6 | 5p | 35.917224 | -.00014597 |
| 7 | 3p | 2.596524 | -.00501213 |
| 8 | 3p | 80.282190 | .00000229 |
| ORB.ENERGY,a.u. | -6.644900 | ||
| NORM | 1.000000 | < R > | .480557 | < R2 > | .287731 | < 1/R > | 2.717753 | < 1/R**2 > | 10.358190 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.214308 | .35973386 |
| 2 | 2s | 6.047362 | -.82288313 |
| 3 | 3s | 5.178953 | -.30150306 |
| 4 | 4s | 20.447652 | .00298785 |
| 5 | 3s | 16.904386 | .00630501 |
| 6 | 2s | 2.840998 | -.01141918 |
| 7 | 5s | 39.166729 | .00024969 |
| 8 | 4s | 1.755127 | -.00018721 |
| ORB.ENERGY,a.u. | -8.831700 | ||
| NORM | 1.000000 | < R > | .514198 | < R2 > | .313905 | < 1/R > | 2.839274 | < 1/R**2 > | 33.218223 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.570510 | 1.01434063 |
| 2 | 2s | 20.436783 | -.02221068 |
| 3 | 3s | 10.624502 | .01921347 |
| 4 | 4s | 58.210166 | -.00049887 |
| 5 | 4s | 10.099918 | .00282596 |
| 6 | 5s | 73.921037 | .00017629 |
| 7 | 5s | 12.491345 | -.00815703 |
| 8 | 2s | 2.470662 | -.00014252 |
| 9 | 2s | 3.092315 | .00025832 |
| 10 | 3s | 117.183704 | -.00001057 |
| ORB.ENERGY,a.u. | -80.779000 |
| NORM | 1.000000 | < R > | .103786 | < R2 > | .014482 | < 1/R > | 14.575309 | < 1/R**2 > | 428.687788 |
Total Energy= -337.09520012 a.u.
Kinetic Energy= 337.07315599 a.u.
Potential Energy= -674.16835611 a.u.
Virial Ratio = -2.00006540