(1s 2 2s 2 2p 2 4s 1 ) 2 P N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 4s- electron | |
| 1 | 1s | 6.870926 | .01989587 |
| 2 | 2s | .591847 | -.48441308 |
| 3 | 3s | .671589 | 1.32359844 |
| 4 | 4s | .366717 | -1.18859704 |
| 5 | 5s | .986110 | -.20983806 |
| 6 | 4s | 3.638432 | -.03662217 |
| 7 | 5s | 7.012348 | -.01538278 |
| 8 | 4s | 9.815069 | -.00507964 |
| 9 | 5s | 30.540176 | -.00009992 |
| ORB.ENERGY,a.u. | -.058018 | ||
| NORM | .999996 | < R > | 13.024144 | < R2 > | 191.452544 | < 1/R > | .100370 | < 1/R**2 > | .051100 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.740224 | .72827370 |
| 2 | 2p | 2.991617 | .28724207 |
| 3 | 2p | 7.061375 | .01536071 |
| 4 | 3p | .828102 | .03233150 |
| 5 | 5p | 5.311611 | -.00172720 |
| 6 | 2p | 4.795767 | .00571837 |
| 7 | 5p | 8.325261 | .00317927 |
| 8 | 5p | 1.066930 | -.02097240 |
| ORB.ENERGY,a.u. | -.941460 | ||
| NORM | 1.000000 | < R > | 1.244515 | < R2 > | 1.934940 | < 1/R > | 1.055269 | < 1/R**2 > | 1.578598 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.911857 | .28542317 |
| 2 | 2s | 2.412906 | -.85704392 |
| 3 | 3s | 1.991315 | -.27135258 |
| 4 | 5s | 3.929731 | .01828310 |
| 5 | 4s | 11.205552 | .00308264 |
| 6 | 3s | 6.648226 | .02847619 |
| 7 | 5s | .426928 | -.00774480 |
| 8 | 4s | .792201 | .00306852 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.251879 | < R2 > | 1.877653 | < 1/R > | 1.141728 | < 1/R**2 > | 5.293910 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.238513 | .71693613 |
| 2 | 1s | 9.297325 | .22465237 |
| 3 | 2s | 6.857060 | .08417718 |
| 4 | 3s | 7.552975 | -.02183719 |
| 5 | 4s | 12.665666 | .00589481 |
| 6 | 1s | 2.913952 | .00661943 |
| 7 | 5s | .321105 | .00024824 |
| 8 | 5s | 24.837596 | .00017477 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228089 | < R2 > | .070116 | < 1/R > | 6.656666 | < 1/R**2 > | 89.909677 |
Total Energy= -53.94723302 a.u.
Kinetic Energy= 53.94601004 a.u.
Potential Energy= -107.89324305 a.u.
Virial Ratio = -2.00002267