(1s 2 2s 2 2p 4 5p 1 ) 2 S S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 4.341097 | .23548384 |
| 2 | 3p | 2.069095 | -2.55076455 |
| 3 | 4p | 1.892468 | 5.18794321 |
| 4 | 5p | 1.684381 | -3.43731818 |
| 5 | 2p | 9.400572 | .04905917 |
| 6 | 5p | 15.673422 | .00184801 |
| 7 | 4p | 36.314068 | -.00010234 |
| ORB.ENERGY,a.u. | -1.430400 | ||
| NORM | .999999 | < R > | 4.082561 | < R2 > | 18.740850 | < 1/R > | .351920 | < 1/R**2 > | .450114 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.599549 | 1.17027000 |
| 2 | 3p | 6.414152 | -.23799777 |
| 3 | 2p | 12.551443 | .06309954 |
| 4 | 4p | 15.277244 | .01288089 |
| 5 | 5p | 2.458624 | .01039671 |
| 6 | 5p | 22.324892 | -.00072575 |
| 7 | 4p | 64.110362 | .00002910 |
| 8 | 4p | 2.033152 | -.01072535 |
| ORB.ENERGY,a.u. | -13.508000 | ||
| NORM | 1.000000 | < R > | .404694 | < R2 > | .200566 | < 1/R > | 3.166241 | < 1/R**2 > | 13.777200 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.797754 | .39486936 |
| 2 | 2s | 6.766367 | -.85053848 |
| 3 | 3s | 6.239236 | -.29876844 |
| 4 | 4s | 17.510877 | .00884932 |
| 5 | 3s | 21.143117 | .00679597 |
| 6 | 5s | 31.502622 | .00070087 |
| 7 | 5s | 5.567662 | -.00493844 |
| 8 | 4s | 4.262423 | .00180213 |
| 9 | 2s | 59.842888 | .00003780 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452543 | < R2 > | .241077 | < 1/R > | 3.232684 | < 1/R**2 > | 42.704746 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164320 | .91842174 |
| 2 | 1s | 22.034586 | .07822774 |
| 3 | 2s | 9.704510 | .01984109 |
| 4 | 3s | 11.832680 | -.01993361 |
| 5 | 4s | 14.338500 | .00903419 |
| 6 | 5s | 39.007066 | .00079120 |
| 7 | 4s | 91.254590 | -.00002868 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096887 | < R2 > | .012601 | < 1/R > | 15.593030 | < 1/R**2 > | 490.096888 |
Total Energy= -366.69888402 a.u.
Kinetic Energy= 366.69148414 a.u.
Potential Energy= -733.39036816 a.u.
Virial Ratio = -2.00002018