(1s 2 2s 2 ) 1 S C 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1020.
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 | 2s- electron | |
| 1 | 1s | 5.062128 | .30043122 |
| 2 | 2s | 2.115089 | -.84405728 |
| 3 | 3s | 2.241577 | -.22190388 |
| 4 | 4s | 12.569602 | .01083905 |
| 5 | 4s | 7.156955 | .03079428 |
| 6 | 5s | 2.148913 | -.04511726 |
| 7 | 5s | 16.305017 | -.00353796 |
| 8 | 5s | 1.992885 | .00672598 |
| 9 | 4s | 40.922407 | .00006183 |
| ORB.ENERGY,a.u. | -1.683100 | ||
| NORM | 1.000000 | < R > | 1.371946 | < R2 > | 2.214566 | < 1/R > | 1.034131 | < 1/R**2 > | 4.282041 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.280183 | .88552531 |
| 2 | 1s | 8.684041 | .12193896 |
| 3 | 2s | 4.909589 | .02008481 |
| 4 | 3s | 6.643319 | -.02313737 |
| 5 | 4s | 11.055687 | .00540043 |
| 6 | 5s | 6.559458 | -.00429494 |
| 7 | 5s | 38.846337 | -.00003284 |
| ORB.ENERGY,a.u. | -12.472000 |
| NORM | 1.000000 | < R > | .267410 | < R2 > | .096250 | < 1/R > | 5.677215 | < 1/R**2 > | 65.453111 |
Total Energy= -36.40849558 a.u.
Kinetic Energy= 36.40850067 a.u.
Potential Energy= -72.81699625 a.u.
Virial Ratio = -1.99999986