(1s 2 2s 2 2p 2 4d 1 ) 2 D Si 7+
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 | 2.241581 | 1.44049028 |
| 2 | 4d | 1.974682 | -1.96284489 |
| 3 | 3d | 5.508515 | .01595509 |
| 4 | 5d | 1.861700 | .03159586 |
| 5 | 5d | 21.395195 | .00027173 |
| 6 | 5d | 12.166135 | .00425793 |
| 7 | 3d | 11.877904 | .00194861 |
| ORB.ENERGY,a.u. | -2.015200 | ||
| NORM | .999999 | < R > | 2.590774 | < R2 > | 7.696687 | < 1/R > | .513176 | < 1/R**2 > | .433194 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.343753 | 1.17053180 |
| 2 | 3p | 6.380246 | -.19082585 |
| 3 | 2p | 14.206856 | .01694145 |
| 4 | 4p | 16.670978 | .00639037 |
| 5 | 5p | 23.756716 | -.00146790 |
| 6 | 5p | 3.261910 | .00063940 |
| 7 | 4p | 62.815014 | .00003361 |
| ORB.ENERGY,a.u. | -12.300000 | ||
| NORM | 1.000000 | < R > | .446173 | < R2 > | .242132 | < 1/R > | 2.849228 | < 1/R**2 > | 11.060240 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.234526 | .39954928 |
| 2 | 2s | 5.921750 | -.84522256 |
| 3 | 3s | 6.111518 | -.27717806 |
| 4 | 4s | 22.831445 | .00234884 |
| 5 | 3s | 13.662414 | .01533528 |
| 6 | 5s | 6.083152 | -.03012610 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .507047 | < R2 > | .301688 | < 1/R > | 2.882615 | < 1/R**2 > | 33.763224 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162257 | .92626782 |
| 2 | 1s | 20.402174 | .07282510 |
| 3 | 2s | 12.168740 | .01939928 |
| 4 | 3s | 15.602163 | -.01547463 |
| 5 | 5s | 32.798247 | .00104617 |
| 6 | 4s | 78.187816 | -.00004127 |
| 7 | 5s | 10.234381 | .00045240 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110787 | < R2 > | .016463 | < 1/R > | 13.630348 | < 1/R**2 > | 374.461706 |
Total Energy= -253.53090291 a.u.
Kinetic Energy= 253.47749589 a.u.
Potential Energy= -507.00839881 a.u.
Virial Ratio = -2.00021070