(1s 2 2s 2 2p 2 4p 1 ) 4 D N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 1.918499 | .07632411 |
| 2 | 3p | .486765 | -.72742234 |
| 3 | 4p | .334949 | 1.02260635 |
| 4 | 5p | 1.141763 | -.04182189 |
| 5 | 2p | 4.280869 | .01341382 |
| 6 | 5p | .325686 | .26737361 |
| 7 | 5p | 5.788023 | .00316948 |
| 8 | 4p | 14.268139 | -.00014562 |
| ORB.ENERGY,a.u. | -.046792 | ||
| NORM | .999999 | < R > | 15.189586 | < R2 > | 261.763626 | < 1/R > | .088247 | < 1/R**2 > | .021035 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.741902 | .72470609 |
| 2 | 2p | 2.981343 | .28845611 |
| 3 | 2p | 7.001953 | .01585023 |
| 4 | 3p | .924117 | .02843357 |
| 5 | 2p | 4.888109 | .00568404 |
| 6 | 5p | 8.363686 | .00337361 |
| 7 | 5p | 5.029903 | -.00134639 |
| 8 | 5p | 1.121434 | -.01471559 |
| ORB.ENERGY,a.u. | -.955180 | ||
| NORM | 1.000000 | < R > | 1.244059 | < R2 > | 1.933996 | < 1/R > | 1.055762 | < 1/R**2 > | 1.580032 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.889626 | .28670788 |
| 2 | 2s | 2.464911 | -.83162565 |
| 3 | 3s | 1.968018 | -.26787848 |
| 4 | 4s | 8.283330 | .02322480 |
| 5 | 3s | 10.262417 | .00734649 |
| 6 | 5s | 3.033967 | -.01778510 |
| 7 | 5s | 15.979994 | .00094868 |
| 8 | 2s | 49.733342 | .00000375 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.253431 | < R2 > | 1.876272 | < 1/R > | 1.140351 | < 1/R**2 > | 5.282676 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229841 | .71794444 |
| 2 | 1s | 9.301601 | .22518258 |
| 3 | 1s | 2.653268 | .00484544 |
| 4 | 2s | 6.904243 | .08336231 |
| 5 | 3s | 7.780405 | -.02157098 |
| 6 | 4s | 12.681731 | .00690435 |
| 7 | 5s | 28.091212 | .00017131 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228089 | < R2 > | .070097 | < 1/R > | 6.656651 | < 1/R**2 > | 89.909411 |
Total Energy= -53.93339169 a.u.
Kinetic Energy= 53.93480199 a.u.
Potential Energy= -107.86819367 a.u.
Virial Ratio = -1.99997385