(1s 2 2s 2 2p 2 3d 1 ) 4 P O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 3d- electron | |
| 1 | 3d | 2.532986 | .01841965 |
| 2 | 4d | 1.617253 | .02013860 |
| 3 | 4d | 15.759620 | .00002594 |
| 4 | 5d | .700444 | .02035488 |
| 5 | 3d | .693747 | .96474425 |
| 6 | 5d | 4.202682 | -.00125812 |
| ORB.ENERGY,a.u. | -.229180 | ||
| NORM | 1.000000 | < R > | 5.018590 | < R2 > | 28.980199 | < 1/R > | .235163 | < 1/R**2 > | .067792 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.299115 | .77911441 |
| 2 | 2p | 3.895921 | .22613638 |
| 3 | 2p | 8.055152 | .01336701 |
| 4 | 3p | 1.553356 | .03280160 |
| 5 | 4p | 1.333722 | -.01359259 |
| 6 | 5p | 16.954823 | -.00074456 |
| 7 | 5p | 1.313912 | .00358451 |
| 8 | 4p | 54.939122 | .00003175 |
| 9 | 3p | 114.716651 | .00000412 |
| ORB.ENERGY,a.u. | -1.698800 | ||
| NORM | 1.000000 | < R > | .985526 | < R2 > | 1.202203 | < 1/R > | 1.318029 | < 1/R**2 > | 2.430818 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.673063 | .31179264 |
| 2 | 2s | 2.925711 | -.84641820 |
| 3 | 3s | 2.489559 | -.26828313 |
| 4 | 4s | 9.632377 | .01919386 |
| 5 | 3s | 11.390696 | .00690996 |
| 6 | 5s | 1.687188 | -.00077604 |
| 7 | 5s | 19.232010 | .00073593 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.034671 | < R2 > | 1.270764 | < 1/R > | 1.387646 | < 1/R**2 > | 7.836625 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.340027 | .73695823 |
| 2 | 1s | 10.790288 | .19547626 |
| 3 | 1s | 2.216460 | .00409669 |
| 4 | 2s | 7.733711 | .09950976 |
| 5 | 3s | 8.866627 | -.02277548 |
| 6 | 4s | 15.076880 | .00462391 |
| 7 | 5s | 3.860850 | -.00081119 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198212 | < R2 > | .052885 | < 1/R > | 7.650558 | < 1/R**2 > | 118.575557 |
Total Energy= -73.32916630 a.u.
Kinetic Energy= 73.32937671 a.u.
Potential Energy= -146.65854301 a.u.
Virial Ratio = -1.99999713