(1s 2 2s 2 2p 4 ) 1 D F +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 2p- electron | |
| 1 | 2p | 2.260455 | .72830235 |
| 2 | 2p | 4.138720 | .28081280 |
| 3 | 2p | 8.466443 | .01949143 |
| 4 | 3p | 2.477340 | -.01899718 |
| 5 | 4p | 2.062099 | .06411506 |
| 6 | 5p | 11.075183 | .00356919 |
| ORB.ENERGY,a.u. | -1.119100 | ||
| NORM | 1.000000 | < R > | .977386 | < R2 > | 1.216953 | < 1/R > | 1.371016 | < 1/R**2 > | 2.712217 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.512357 | .30163289 |
| 2 | 2s | 3.261530 | -.83488608 |
| 3 | 3s | 2.597647 | -.27580639 |
| 4 | 4s | 14.257312 | .00265076 |
| 5 | 3s | 8.782697 | .02028765 |
| 6 | 5s | 3.763787 | -.02129904 |
| 7 | 4s | 4.065836 | .02049576 |
| 8 | 3s | 1.950885 | -.01593177 |
| ORB.ENERGY,a.u. | -1.920100 | ||
| NORM | 1.000000 | < R > | .959721 | < R2 > | 1.105751 | < 1/R > | 1.505359 | < 1/R**2 > | 9.320553 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.094453 | .85131205 |
| 2 | 1s | 11.695093 | .15638215 |
| 3 | 2s | 9.188034 | -.00609972 |
| 4 | 3s | 5.484275 | .00399145 |
| 5 | 4s | 17.208049 | .00406047 |
| 6 | 5s | 86.735751 | -.00000453 |
| 7 | 3s | 8.579147 | -.00090754 |
| 8 | 5s | 3.462472 | .00022030 |
| ORB.ENERGY,a.u. | -26.471000 |
| NORM | 1.000000 | < R > | .175657 | < R2 > | .041556 | < 1/R > | 8.632807 | < 1/R**2 > | 150.896674 |
Total Energy= -98.83124314 a.u.
Kinetic Energy= 98.72859544 a.u.
Potential Energy= -197.55983857 a.u.
Virial Ratio = -2.00103970