(1s 2 2s 2 2p 5 3s 1 ) 3 P P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 3s- electron | |
| 1 | 1s | 12.281864 | .13955036 |
| 2 | 2s | 4.740078 | -.57954776 |
| 3 | 3s | 2.619726 | 1.20668251 |
| 4 | 4s | 12.117872 | -.01515944 |
| 5 | 5s | 5.459380 | -.03737162 |
| 6 | 4s | 2.172602 | .00683845 |
| 7 | 5s | 33.440101 | .00027764 |
| ORB.ENERGY,a.u. | -3.115400 | ||
| NORM | 1.000000 | < R > | 1.473594 | < R2 > | 2.461820 | < 1/R > | .938677 | < 1/R**2 > | 5.275413 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.746312 | 1.24650174 |
| 2 | 3p | 5.511935 | -.33696846 |
| 3 | 2p | 11.102862 | .08479414 |
| 4 | 4p | 13.330051 | .01500485 |
| 5 | 5p | 3.501001 | .00099141 |
| 6 | 5p | 85.051127 | .00001134 |
| ORB.ENERGY,a.u. | -8.896000 | ||
| NORM | 1.000000 | < R > | .460987 | < R2 > | .262828 | < 1/R > | 2.810039 | < 1/R**2 > | 10.979060 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.382077 | .32101107 |
| 2 | 2s | 5.028303 | -.77892870 |
| 3 | 3s | 8.591773 | -.23184301 |
| 4 | 4s | 6.828766 | -.05291038 |
| 5 | 5s | 18.051021 | -.00793756 |
| 6 | 5s | 3.723831 | -.00581424 |
| 7 | 4s | 61.912282 | -.00003519 |
| 8 | 3s | 1.572184 | -.00039302 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .502970 | < R2 > | .299621 | < 1/R > | 2.904931 | < 1/R**2 > | 34.665903 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.208450 | .92424368 |
| 2 | 1s | 21.006412 | .07216857 |
| 3 | 2s | 8.258861 | .02121868 |
| 4 | 3s | 10.263632 | -.02153232 |
| 5 | 4s | 13.093406 | .01053402 |
| 6 | 5s | 35.742788 | .00076257 |
| 7 | 4s | 79.826405 | -.00004287 |
| 8 | 5s | 3.516697 | .00016641 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103671 | < R2 > | .014442 | < 1/R > | 14.585172 | < 1/R**2 > | 429.130806 |
Total Energy= -329.41309068 a.u.
Kinetic Energy= 329.42453824 a.u.
Potential Energy= -658.83762892 a.u.
Virial Ratio = -1.99996525