(1s 2 2s 2 2p 2 3p 1 ) 4 P N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4131.
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 | .582119 | -.71937281 |
| 2 | 2p | 1.581143 | .10905868 |
| 3 | 2p | 4.130353 | .03242943 |
| 4 | 4p | .494286 | -.33198771 |
| 5 | 5p | 4.419830 | .01654705 |
| 6 | 4p | 5.521837 | .01112595 |
| ORB.ENERGY,a.u. | -.096050 | ||
| NORM | 1.000000 | < R > | 6.981648 | < R2 > | 56.026108 | < 1/R > | .176692 | < 1/R**2 > | .059062 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.771643 | .72240711 |
| 2 | 2p | 3.000073 | .27135341 |
| 3 | 2p | 6.947912 | .01661815 |
| 4 | 3p | 1.342158 | .03221192 |
| 5 | 2p | 4.288714 | .00855368 |
| 6 | 5p | 8.180506 | .00433137 |
| 7 | 5p | 7.010353 | -.00094185 |
| 8 | 5p | .625287 | .00085371 |
| ORB.ENERGY,a.u. | -.840090 | ||
| NORM | 1.000000 | < R > | 1.244108 | < R2 > | 1.935515 | < 1/R > | 1.056008 | < 1/R**2 > | 1.580820 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.872226 | .28775096 |
| 2 | 2s | 2.476608 | -.83233081 |
| 3 | 3s | 1.962237 | -.26413844 |
| 4 | 4s | 8.003343 | .02270491 |
| 5 | 3s | 9.411119 | .00978650 |
| 6 | 5s | 3.035492 | -.02483076 |
| 7 | 5s | 16.131009 | .00094733 |
| 8 | 3s | .794334 | -.00084171 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.254601 | < R2 > | 1.880352 | < 1/R > | 1.139399 | < 1/R**2 > | 5.274422 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229678 | .71792410 |
| 2 | 1s | 9.302720 | .22513569 |
| 3 | 1s | 2.668403 | .00494308 |
| 4 | 2s | 6.905416 | .08336525 |
| 5 | 3s | 7.779230 | -.02157771 |
| 6 | 4s | 12.681462 | .00688232 |
| 7 | 5s | 28.040595 | .00017086 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228097 | < R2 > | .070103 | < 1/R > | 6.656505 | < 1/R**2 > | 89.906408 |
Total Energy= -53.98294010 a.u.
Kinetic Energy= 53.98405902 a.u.
Potential Energy= -107.96699911 a.u.
Virial Ratio = -1.99997927