(1s 2 2s 2 2p 4 4d 1 ) 4 D Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4242.
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 | 1.910716 | 1.02048133 |
| 2 | 4d | 1.516574 | -1.57795327 |
| 3 | 3d | 5.805577 | .03956683 |
| 4 | 4d | 4.305172 | .04505448 |
| 5 | 5d | 17.657809 | -.00018069 |
| 6 | 5d | 1.344177 | .01966759 |
| ORB.ENERGY,a.u. | -1.192000 | ||
| NORM | 1.000000 | < R > | 3.259693 | < R2 > | 12.221215 | < 1/R > | .414898 | < 1/R**2 > | .296686 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.644109 | 1.20766366 |
| 2 | 3p | 5.441808 | -.27884602 |
| 3 | 2p | 10.793343 | .06706532 |
| 4 | 4p | 12.598492 | .01363501 |
| 5 | 5p | 31.529969 | -.00013628 |
| 6 | 5p | 1.673509 | -.00018510 |
| ORB.ENERGY,a.u. | -8.574000 | ||
| NORM | 1.000000 | < R > | .484892 | < R2 > | .289334 | < 1/R > | 2.657708 | < 1/R**2 > | 9.771112 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.291081 | .37599487 |
| 2 | 2s | 5.753405 | -.84272576 |
| 3 | 3s | 5.155481 | -.29730964 |
| 4 | 4s | 15.929442 | .00848490 |
| 5 | 3s | 18.348850 | .00591009 |
| 6 | 5s | 28.270086 | .00078444 |
| 7 | 5s | 4.562816 | -.00409516 |
| 8 | 4s | 3.460815 | .00152367 |
| 9 | 3s | 44.156896 | -.00008008 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533410 | < R2 > | .335810 | < 1/R > | 2.733981 | < 1/R**2 > | 30.603798 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.204993 | .91771956 |
| 2 | 1s | 19.462310 | .07931975 |
| 3 | 2s | 8.044089 | .01967297 |
| 4 | 3s | 9.931909 | -.01992007 |
| 5 | 4s | 12.309467 | .00936692 |
| 6 | 5s | 33.710955 | .00093954 |
| 7 | 4s | 80.950351 | -.00003363 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111163 | < R2 > | .016601 | < 1/R > | 13.601295 | < 1/R**2 > | 373.230927 |
Total Energy= -272.78910653 a.u.
Kinetic Energy= 272.80826210 a.u.
Potential Energy= -545.59736862 a.u.
Virial Ratio = -1.99992978