(1s 2 2s 2 2p 2 4p 1 ) 4 S N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 4p- electron | |
| 1 | 2p | 1.349287 | .06118937 |
| 2 | 3p | .381205 | -1.33505426 |
| 3 | 4p | .385344 | 1.20393322 |
| 4 | 5p | .964241 | -.06418955 |
| 5 | 2p | 4.163722 | .00625844 |
| 6 | 5p | .335719 | .75891135 |
| 7 | 5p | 6.477371 | .00153080 |
| ORB.ENERGY,a.u. | -.045992 | ||
| NORM | 1.000001 | < R > | 15.796014 | < R2 > | 281.609607 | < 1/R > | .080455 | < 1/R**2 > | .011415 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.752603 | .70943361 |
| 2 | 2p | 2.946900 | .28715429 |
| 3 | 3p | 1.380329 | .02972220 |
| 4 | 2p | 6.986896 | .01967429 |
| 5 | 3p | .501392 | -.01529700 |
| 6 | 5p | 17.560299 | .00043935 |
| 7 | 4p | .305617 | .02075502 |
| 8 | 4p | 6.982565 | .01048484 |
| 9 | 4p | 27.340087 | .00010989 |
| ORB.ENERGY,a.u. | -.954380 | ||
| NORM | 1.000000 | < R > | 1.244583 | < R2 > | 1.993296 | < 1/R > | 1.056691 | < 1/R**2 > | 1.581959 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.899749 | .28599294 |
| 2 | 2s | 2.452670 | -.83247159 |
| 3 | 3s | 1.982638 | -.26759125 |
| 4 | 4s | 8.349201 | .02202588 |
| 5 | 3s | 10.155338 | .00708210 |
| 6 | 5s | 2.811935 | -.01380356 |
| 7 | 5s | 16.539693 | .00088288 |
| 8 | 3s | .895807 | -.00044566 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.253268 | < R2 > | 1.875583 | < 1/R > | 1.140424 | < 1/R**2 > | 5.283132 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229896 | .71794921 |
| 2 | 1s | 9.302591 | .22514308 |
| 3 | 1s | 2.649183 | .00483414 |
| 4 | 2s | 6.904970 | .08343196 |
| 5 | 3s | 7.781037 | -.02157543 |
| 6 | 4s | 12.685489 | .00689222 |
| 7 | 5s | 28.102565 | .00016981 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228088 | < R2 > | .070097 | < 1/R > | 6.656660 | < 1/R**2 > | 89.909610 |
Total Energy= -53.93342770 a.u.
Kinetic Energy= 53.92576306 a.u.
Potential Energy= -107.85919076 a.u.
Virial Ratio = -2.00014213