(1s 2 2s 2 2p 4 5p 1 ) 2 D P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 4.047261 | .21941909 |
| 2 | 3p | 1.867537 | -2.28625826 |
| 3 | 4p | 1.696887 | 4.68687849 |
| 4 | 5p | 1.481532 | -3.13865682 |
| 5 | 2p | 8.810775 | .04580025 |
| 6 | 5p | 13.976387 | .00175416 |
| 7 | 4p | 32.373395 | -.00013550 |
| 8 | 2p | 1.499932 | -.04146419 |
| ORB.ENERGY,a.u. | -1.110900 | ||
| NORM | 1.000001 | < R > | 4.600754 | < R2 > | 23.797654 | < 1/R > | .311313 | < 1/R**2 > | .352794 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.129609 | 1.17437691 |
| 2 | 3p | 5.938419 | -.24579451 |
| 3 | 2p | 11.510001 | .06847371 |
| 4 | 4p | 13.519681 | .01239837 |
| 5 | 5p | 2.632284 | .00564281 |
| 6 | 5p | 35.549702 | -.00014590 |
| 7 | 4p | 2.459850 | -.00495789 |
| 8 | 3p | .928655 | -.00139121 |
| ORB.ENERGY,a.u. | -10.987000 | ||
| NORM | 1.000000 | < R > | .440826 | < R2 > | .238465 | < 1/R > | 2.913604 | < 1/R**2 > | 11.698907 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.023532 | .38705781 |
| 2 | 2s | 6.244896 | -.85725335 |
| 3 | 3s | 5.522262 | -.30505310 |
| 4 | 4s | 16.962790 | .00863094 |
| 5 | 3s | 19.455648 | .00621836 |
| 6 | 5s | 32.151254 | .00066731 |
| 7 | 5s | 6.376637 | .01662059 |
| 8 | 4s | 3.398703 | .00036474 |
| 9 | 2s | 83.992603 | .00000631 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489553 | < R2 > | .282426 | < 1/R > | 2.983701 | < 1/R**2 > | 36.412569 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.210532 | .92279673 |
| 2 | 1s | 20.928422 | .07367639 |
| 3 | 2s | 8.774027 | .02038329 |
| 4 | 3s | 10.776942 | -.02032062 |
| 5 | 4s | 13.356120 | .00940970 |
| 6 | 5s | 35.793455 | .00084866 |
| 7 | 4s | 85.155226 | -.00003798 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103540 | < R2 > | .014397 | < 1/R > | 14.596654 | < 1/R**2 > | 429.653456 |
Total Energy= -317.80070265 a.u.
Kinetic Energy= 317.79825381 a.u.
Potential Energy= -635.59895645 a.u.
Virial Ratio = -2.00000771