(1s 2 2s 2 2p 4 4d 1 ) 2 D Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 1.690499 | 1.44001230 |
| 2 | 4d | 1.502302 | -1.94267400 |
| 3 | 3d | 6.523659 | .01439486 |
| 4 | 4d | 4.202599 | .01681333 |
| 5 | 5d | 17.296900 | -.00011084 |
| ORB.ENERGY,a.u. | -1.144400 | ||
| NORM | 1.000000 | < R > | 3.422469 | < R2 > | 13.431201 | < 1/R > | .388818 | < 1/R**2 > | .249989 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.673080 | 1.20016776 |
| 2 | 3p | 5.492261 | -.26893701 |
| 3 | 2p | 10.825707 | .06546447 |
| 4 | 4p | 12.608089 | .01303003 |
| 5 | 5p | 2.378105 | .00045579 |
| 6 | 5p | 32.405067 | -.00015498 |
| ORB.ENERGY,a.u. | -8.526400 | ||
| NORM | 1.000000 | < R > | .484152 | < R2 > | .288357 | < 1/R > | 2.660767 | < 1/R**2 > | 9.790052 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.292584 | .37596907 |
| 2 | 2s | 5.752457 | -.84270362 |
| 3 | 3s | 5.161552 | -.29694632 |
| 4 | 4s | 15.867174 | .00846658 |
| 5 | 3s | 18.351515 | .00594945 |
| 6 | 5s | 28.039107 | .00081113 |
| 7 | 5s | 4.601576 | -.00397800 |
| 8 | 4s | 3.357504 | .00108752 |
| 9 | 3s | 43.754001 | -.00008512 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533337 | < R2 > | .335706 | < 1/R > | 2.734335 | < 1/R**2 > | 30.611334 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.204832 | .91772122 |
| 2 | 1s | 19.462448 | .07932030 |
| 3 | 2s | 8.039386 | .01968579 |
| 4 | 3s | 9.927596 | -.01992896 |
| 5 | 4s | 12.307785 | .00937041 |
| 6 | 5s | 33.666572 | .00093558 |
| 7 | 4s | 80.884989 | -.00003464 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111165 | < R2 > | .016602 | < 1/R > | 13.601122 | < 1/R**2 > | 373.223428 |
Total Energy= -272.78659285 a.u.
Kinetic Energy= 272.76057036 a.u.
Potential Energy= -545.54716321 a.u.
Virial Ratio = -2.00009540