(1s 2 2s 1 3d 1 ) 3 D Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3d- electron | |
| 1 | 3d | 3.714804 | .99857239 |
| 2 | 3d | 6.963798 | .02321509 |
| 3 | 4d | 13.101162 | -.00192022 |
| 4 | 5d | 4.496813 | -.01587485 |
| ORB.ENERGY,a.u. | -6.853800 | ||
| NORM | 1.000000 | < R > | .928870 | < R2 > | .989002 | < 1/R > | 1.260859 | < 1/R**2 > | 1.917324 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.690712 | .40625278 |
| 2 | 2s | 5.808328 | -.79687339 |
| 3 | 3s | 7.333075 | -.29545682 |
| 4 | 5s | 12.879065 | -.02371878 |
| 5 | 4s | 26.385897 | .00364799 |
| 6 | 5s | 37.273090 | -.00071095 |
| ORB.ENERGY,a.u. | -18.079000 | ||
| NORM | 1.000000 | < R > | .474618 | < R2 > | .262994 | < 1/R > | 3.102399 | < 1/R**2 > | 38.829969 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.409452 | .93609829 |
| 2 | 1s | 21.383624 | .05189304 |
| 3 | 2s | 16.515054 | .01651572 |
| 4 | 3s | 9.830920 | .00159450 |
| 5 | 4s | 56.484355 | -.00049334 |
| 6 | 5s | 75.626782 | .00018103 |
| 7 | 5s | 6.542508 | .00010015 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110244 | < R2 > | .016272 | < 1/R > | 13.675352 | < 1/R**2 > | 376.425567 |
Total Energy= -213.68613843 a.u.
Kinetic Energy= 213.39071600 a.u.
Potential Energy= -427.07685443 a.u.
Virial Ratio = -2.00138442