(1s 2 2s 2 2p 3 4p 1 ) 5 P P 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5141.
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 | 7.212242 | .21133835 |
| 2 | 3p | 1.533595 | 2.10690630 |
| 3 | 4p | 3.201935 | -1.47647457 |
| 4 | 5p | 5.605056 | -.14588063 |
| 5 | 3p | 15.782562 | -.00254511 |
| 6 | 5p | 1.753399 | -.63709707 |
| 7 | 4p | 2.040349 | .35825283 |
| 8 | 4p | 50.619584 | .00001386 |
| ORB.ENERGY,a.u. | -2.299300 | ||
| NORM | 1.000000 | < R > | 2.503378 | < R2 > | 7.086719 | < 1/R > | .564079 | < 1/R**2 > | .911447 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.735573 | 1.33800343 |
| 2 | 3p | 7.226183 | -.41445092 |
| 3 | 4p | 8.667960 | .07466931 |
| 4 | 5p | 34.153104 | -.00019642 |
| 5 | 4p | 3.389778 | .01256312 |
| 6 | 3p | 15.901922 | -.00621493 |
| 7 | 5p | 3.596150 | -.00886105 |
| ORB.ENERGY,a.u. | -13.158000 | ||
| NORM | 1.000000 | < R > | .423356 | < R2 > | .218609 | < 1/R > | 3.012641 | < 1/R**2 > | 12.410370 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.932387 | .40091258 |
| 2 | 2s | 6.373590 | -.85626449 |
| 3 | 3s | 6.106832 | -.28742093 |
| 4 | 4s | 25.362937 | .00206364 |
| 5 | 3s | 13.895675 | .01707272 |
| 6 | 5s | 6.221381 | -.01561101 |
| 7 | 4s | 2.081498 | .00020439 |
| ORB.ENERGY,a.u. | -12.886000 | ||
| NORM | 1.000000 | < R > | .478593 | < R2 > | .269231 | < 1/R > | 3.055146 | < 1/R**2 > | 38.045284 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.174093 | .93175347 |
| 2 | 1s | 21.910284 | .06641455 |
| 3 | 2s | 12.610545 | .01837787 |
| 4 | 3s | 17.875098 | -.01483560 |
| 5 | 4s | 27.540915 | .00302565 |
| 6 | 5s | 53.833062 | .00008814 |
| 7 | 5s | 10.612144 | .00054577 |
| ORB.ENERGY,a.u. | -86.684000 |
| NORM | 1.000000 | < R > | .103389 | < R2 > | .014345 | < 1/R > | 14.610078 | < 1/R**2 > | 430.262503 |
Total Energy= -307.66953833 a.u.
Kinetic Energy= 307.68875368 a.u.
Potential Energy= -615.35829202 a.u.
Virial Ratio = -1.99993755