(1s 2 2s 2 2p 1 4d 1 ) 1 F S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 3.035536 | 1.52200693 |
| 2 | 4d | 2.735450 | -2.01850929 |
| 3 | 3d | 7.694723 | .01944716 |
| 4 | 5d | 10.451756 | -.00414112 |
| 5 | 4d | 42.155928 | .00003338 |
| 6 | 5d | 2.165055 | .00219732 |
| ORB.ENERGY,a.u. | -3.808700 | ||
| NORM | 1.000000 | < R > | 1.888125 | < R2 > | 4.084311 | < 1/R > | .701333 | < 1/R**2 > | .801271 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.681232 | 1.08015707 |
| 2 | 3p | 8.316855 | -.09503708 |
| 3 | 2p | 15.323919 | .01409789 |
| 4 | 5p | 16.574354 | .00298189 |
| 5 | 4p | 31.829044 | -.00071382 |
| 6 | 5p | 5.800291 | .00206781 |
| 7 | 5p | 98.578466 | -.00001465 |
| 8 | 4p | 3.083097 | .00114643 |
| ORB.ENERGY,a.u. | -19.954000 | ||
| NORM | 1.000000 | < R > | .367149 | < R2 > | .163132 | < 1/R > | 3.440723 | < 1/R**2 > | 16.004440 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.760247 | .37901171 |
| 2 | 2s | 6.114517 | -.81131943 |
| 3 | 3s | 8.824287 | -.28394234 |
| 4 | 4s | 29.872544 | .00130487 |
| 5 | 5s | 17.113386 | -.00966361 |
| 6 | 5s | 6.704095 | .01638622 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424491 | < R2 > | .210807 | < 1/R > | 3.459489 | < 1/R**2 > | 48.390882 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.176494 | .93699569 |
| 2 | 1s | 24.045610 | .06038585 |
| 3 | 2s | 14.595871 | .02490192 |
| 4 | 3s | 23.495094 | -.00877487 |
| 5 | 4s | 19.440313 | -.01217478 |
| 6 | 5s | 41.377599 | .00068268 |
| 7 | 5s | 8.997524 | .00005580 |
| 8 | 3s | 70.762624 | -.00003573 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096362 | < R2 > | .012436 | < 1/R > | 15.647409 | < 1/R**2 > | 492.753493 |
Total Energy= -320.26133935 a.u.
Kinetic Energy= 320.19197734 a.u.
Potential Energy= -640.45331669 a.u.
Virial Ratio = -2.00021663