(1s 2 2s 2 2p 4 4d 1 ) 2 F S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2342.
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 | 2.333361 | 1.26328458 |
| 2 | 4d | 2.024943 | -1.80469523 |
| 3 | 3d | 7.161299 | .03466960 |
| 4 | 4d | 5.087051 | .04024245 |
| 5 | 5d | 25.518460 | -.00007558 |
| ORB.ENERGY,a.u. | -2.073100 | ||
| NORM | 1.000000 | < R > | 2.507772 | < R2 > | 7.222466 | < 1/R > | .535070 | < 1/R**2 > | .483338 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.571900 | 1.14919360 |
| 2 | 3p | 6.347599 | -.22713672 |
| 3 | 2p | 12.105121 | .07400388 |
| 4 | 4p | 14.282563 | .01268962 |
| 5 | 5p | 38.811844 | -.00013089 |
| 6 | 5p | 3.787586 | -.00050371 |
| ORB.ENERGY,a.u. | -13.292000 | ||
| NORM | 1.000000 | < R > | .405068 | < R2 > | .200992 | < 1/R > | 3.164247 | < 1/R**2 > | 13.763434 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.766242 | .39616894 |
| 2 | 2s | 6.771331 | -.85133771 |
| 3 | 3s | 6.205956 | -.29956610 |
| 4 | 4s | 17.729644 | .00727449 |
| 5 | 3s | 19.672818 | .00697793 |
| 6 | 5s | 35.034847 | .00057954 |
| 7 | 5s | 5.120990 | -.00281922 |
| 8 | 4s | 3.556365 | .00094634 |
| 9 | 2s | 90.484634 | .00000527 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452762 | < R2 > | .241349 | < 1/R > | 3.231305 | < 1/R**2 > | 42.671606 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164961 | .91811762 |
| 2 | 1s | 22.010147 | .07851959 |
| 3 | 2s | 9.674126 | .01987161 |
| 4 | 3s | 11.854003 | -.01990108 |
| 5 | 4s | 14.424440 | .00893415 |
| 6 | 5s | 38.903677 | .00083178 |
| 7 | 4s | 94.636923 | -.00002815 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096881 | < R2 > | .012600 | < 1/R > | 15.593647 | < 1/R**2 > | 490.127671 |
Total Energy= -367.34556897 a.u.
Kinetic Energy= 367.33503086 a.u.
Potential Energy= -734.68059982 a.u.
Virial Ratio = -2.00002869