(1s 2 2s 1 5p 1 ) 3 P N 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | .724289 | 2.29490888 |
| 2 | 3p | 1.026399 | -4.57027859 |
| 3 | 4p | .860166 | 6.37576506 |
| 4 | 5p | .821409 | -5.00753382 |
| 5 | 2p | 3.150862 | .10780065 |
| 6 | 5p | 3.556346 | .02400637 |
| 7 | 3p | 6.230292 | -.00841333 |
| ORB.ENERGY,a.u. | -.338970 | ||
| NORM | 1.000005 | < R > | 8.612429 | < R2 > | 83.471062 | < 1/R > | .169651 | < 1/R**2 > | .103836 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.929571 | .34464948 |
| 2 | 2s | 2.610149 | -.85619395 |
| 3 | 3s | 3.214738 | -.23092237 |
| 4 | 4s | 7.921524 | .01324038 |
| 5 | 3s | 8.278791 | .02050421 |
| 6 | 5s | 5.293309 | -.02066042 |
| 7 | 4s | 2.378211 | -.02282552 |
| 8 | 5s | 26.199350 | -.00009652 |
| 9 | 3s | 2.040770 | .02915669 |
| 10 | 2s | 30.343927 | .00004169 |
| ORB.ENERGY,a.u. | -3.425400 | ||
| NORM | 1.000000 | < R > | 1.054345 | < R2 > | 1.297091 | < 1/R > | 1.366952 | < 1/R**2 > | 7.539416 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.272217 | .89244407 |
| 2 | 1s | 9.952286 | .11478547 |
| 3 | 2s | 3.888821 | .02269959 |
| 4 | 3s | 6.512044 | -.02381935 |
| 5 | 4s | 12.398385 | .00432205 |
| 6 | 5s | 5.565165 | -.00631130 |
| 7 | 5s | 43.182178 | -.00005655 |
| ORB.ENERGY,a.u. | -17.948000 |
| NORM | 1.000000 | < R > | .226968 | < R2 > | .069260 | < 1/R > | 6.677718 | < 1/R**2 > | 90.353400 |
Total Energy= -48.66489154 a.u.
Kinetic Energy= 48.66580565 a.u.
Potential Energy= -97.33069718 a.u.
Virial Ratio = -1.99998122