(1s 1 2s 1 ) 1 S N 5+
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 | 2.907081 | .39973512 |
| 2 | 2s | 2.833026 | -1.04046445 |
| 3 | 3s | 4.402778 | -.30479415 |
| 4 | 4s | 12.539892 | .00452976 |
| 5 | 5s | 3.142148 | .05898571 |
| 6 | 4s | 2.717586 | -.02858733 |
| 7 | 3s | 17.718113 | .00024320 |
| ORB.ENERGY,a.u. | -4.841700 | ||
| NORM | 1.000000 | < R > | .938412 | < R2 > | 1.007981 | < 1/R > | 1.259842 | < 1/R**2 > | 2.598539 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.893816 | .90218699 |
| 2 | 1s | 7.094134 | .15617585 |
| 3 | 2s | 3.038660 | -.15568721 |
| 4 | 3s | 3.630305 | -.05142687 |
| 5 | 4s | 15.531982 | .00112289 |
| 6 | 5s | 22.307524 | -.00027885 |
| 7 | 5s | 6.130825 | -.00095734 |
| ORB.ENERGY,a.u. | -23.217000 |
| NORM | 1.000000 | < R > | .211852 | < R2 > | .072715 | < 1/R > | 7.296131 | < 1/R**2 > | 105.020717 |
Total Energy= -29.34674648 a.u.
Kinetic Energy= 29.32210866 a.u.
Potential Energy= -58.66885513 a.u.
Virial Ratio = -2.00084025