(1s 2 2s 2 2p 2 ) 1 S C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 1.171318 | .62769188 |
| 2 | 2p | 2.162887 | .47300962 |
| 3 | 2p | 6.740801 | .00734447 |
| 4 | 3p | 2.646361 | -.11150553 |
| 5 | 4p | 1.074104 | .10235346 |
| 6 | 4p | 10.145285 | -.00045163 |
| 7 | 5p | .871346 | .00501750 |
| ORB.ENERGY,a.u. | -.257250 | ||
| NORM | 1.000000 | < R > | 1.870593 | < R2 > | 4.590703 | < 1/R > | .740734 | < 1/R**2 > | .820188 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.674748 | .22093414 |
| 2 | 2s | 1.309409 | -.85715468 |
| 3 | 3s | 2.953371 | -.28865869 |
| 4 | 4s | 1.599847 | .14148328 |
| 5 | 5s | 6.155112 | -.02320410 |
| 6 | 4s | 11.986407 | .00123200 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.571292 | < R2 > | 2.980157 | < 1/R > | .907438 | < 1/R**2 > | 3.332735 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.209498 | .71618884 |
| 2 | 1s | 8.203877 | .22618382 |
| 3 | 1s | 2.044913 | .00374379 |
| 4 | 2s | 6.454345 | .08055191 |
| 5 | 3s | 6.913220 | -.01393653 |
| 6 | 4s | 10.989320 | .00572133 |
| 7 | 5s | 43.344984 | -.00002138 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268341 | < R2 > | .097105 | < 1/R > | 5.665678 | < 1/R**2 > | 65.255521 |
Total Energy= -37.68152831 a.u.
Kinetic Energy= 37.54960875 a.u.
Potential Energy= -75.23113706 a.u.
Virial Ratio = -2.00351321