(1s 2 2s 2 3p 1 ) 2 P C +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 3p | .770463 | -1.16552883 |
| 2 | 2p | 1.317010 | .50498596 |
| 3 | 2p | 4.106663 | .04286287 |
| 4 | 4p | 4.585887 | .02244943 |
| 5 | 5p | 2.396281 | -.04602222 |
| ORB.ENERGY,a.u. | -.284350 | ||
| NORM | 1.000000 | < R > | 4.866938 | < R2 > | 27.138942 | < 1/R > | .280960 | < 1/R**2 > | .178155 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.095196 | .29547341 |
| 2 | 2s | 2.121892 | -.83944038 |
| 3 | 3s | 2.202114 | -.22811229 |
| 4 | 4s | 6.546137 | .02363869 |
| 5 | 3s | 7.465638 | .02086047 |
| 6 | 5s | 2.169546 | -.03873561 |
| 7 | 5s | 20.926362 | -.00016312 |
| 8 | 2s | 24.975650 | .00006206 |
| 9 | 4s | 1.391399 | -.00338062 |
| ORB.ENERGY,a.u. | -1.399800 | ||
| NORM | 1.000000 | < R > | 1.380990 | < R2 > | 2.246494 | < 1/R > | 1.027349 | < 1/R**2 > | 4.228116 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.200851 | .71588900 |
| 2 | 1s | 8.179261 | .22960629 |
| 3 | 2s | 6.413852 | .08103724 |
| 4 | 3s | 6.620807 | -.01419254 |
| 5 | 4s | 11.049633 | .00516394 |
| 6 | 5s | 7.837230 | -.00092611 |
| 7 | 3s | 62.557001 | .00000696 |
| ORB.ENERGY,a.u. | -12.144000 |
| NORM | 1.000000 | < R > | .267511 | < R2 > | .096339 | < 1/R > | 5.675885 | < 1/R**2 > | 65.429804 |
Total Energy= -36.69284354 a.u.
Kinetic Energy= 36.69284217 a.u.
Potential Energy= -73.38568571 a.u.
Virial Ratio = -2.00000004