(1s 2 2s 2 2p 2 5p 1 ) 4 D F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 2.361212 | .13489462 |
| 2 | 3p | 1.008130 | -1.19534946 |
| 3 | 4p | .755957 | 3.15014415 |
| 4 | 5p | .659265 | -2.71097631 |
| 5 | 2p | 5.017756 | .03635257 |
| 6 | 5p | 7.156761 | .00441925 |
| 7 | 3p | 81.536569 | .00000202 |
| 8 | 4p | 16.220992 | -.00035577 |
| ORB.ENERGY,a.u. | -.216390 | ||
| NORM | .999999 | < R > | 10.114765 | < R2 > | 114.984251 | < 1/R > | .139962 | < 1/R**2 > | .071985 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.756129 | .82901180 |
| 2 | 2p | 4.727067 | .20335138 |
| 3 | 2p | 10.357571 | .00824230 |
| 4 | 3p | 1.568590 | .02424137 |
| 5 | 4p | 3.178246 | -.02278700 |
| 6 | 5p | 21.258168 | -.00022820 |
| 7 | 5p | 1.919631 | -.01294531 |
| ORB.ENERGY,a.u. | -3.042900 | ||
| NORM | 1.000000 | < R > | .817628 | < R2 > | .822691 | < 1/R > | 1.577546 | < 1/R**2 > | 3.452834 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.461682 | .33165923 |
| 2 | 2s | 3.417237 | -.84987346 |
| 3 | 3s | 3.111272 | -.25801147 |
| 4 | 4s | 10.339757 | .01520572 |
| 5 | 3s | 11.788195 | .01202104 |
| 6 | 5s | 3.241140 | -.01469830 |
| 7 | 5s | 33.325189 | -.00012884 |
| 8 | 2s | 41.701571 | .00003289 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .880837 | < R2 > | .917116 | < 1/R > | 1.636421 | < 1/R**2 > | 10.903422 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.277900 | .68786074 |
| 2 | 1s | 12.188233 | .22286480 |
| 3 | 1s | 2.718600 | .00569396 |
| 4 | 2s | 9.051685 | .12781836 |
| 5 | 3s | 10.119050 | -.02752567 |
| 6 | 4s | 17.027391 | .00330559 |
| 7 | 5s | 4.835406 | -.00125364 |
| 8 | 5s | 52.913800 | -.00003421 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175232 | < R2 > | .041300 | < 1/R > | 8.645234 | < 1/R**2 > | 151.223678 |
Total Energy= -95.53273474 a.u.
Kinetic Energy= 95.53598051 a.u.
Potential Energy= -191.06871525 a.u.
Virial Ratio = -1.99996603