(1s 2 2s 2 2p 4 5s 1 ) 2 P P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 5s- electron | |
| 1 | 1s | 12.533512 | .05824971 |
| 2 | 2s | 3.946640 | -.35936375 |
| 3 | 3s | 2.250409 | 1.74859303 |
| 4 | 4s | 1.678276 | -4.55936932 |
| 5 | 5s | 1.565913 | 3.76153389 |
| 6 | 5s | 12.845680 | -.00951406 |
| 7 | 4s | 16.321187 | -.00645856 |
| 8 | 5s | 46.328850 | -.00015661 |
| 9 | 3s | .868346 | .00854761 |
| 10 | 4s | 69.883128 | -.00003531 |
| ORB.ENERGY,a.u. | -1.190200 | ||
| NORM | .999997 | < R > | 4.427976 | < R2 > | 21.942034 | < 1/R > | .320498 | < 1/R**2 > | .981592 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.121726 | 1.18197607 |
| 2 | 3p | 5.948390 | -.25167879 |
| 3 | 2p | 11.529422 | .06771524 |
| 4 | 4p | 13.557175 | .01236685 |
| 5 | 5p | 35.234407 | -.00014710 |
| 6 | 5p | 5.762714 | -.00249627 |
| ORB.ENERGY,a.u. | -10.980000 | ||
| NORM | 1.000000 | < R > | .440946 | < R2 > | .238582 | < 1/R > | 2.912941 | < 1/R**2 > | 11.694270 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.109336 | .34032769 |
| 2 | 2s | 5.426782 | -.76865969 |
| 3 | 3s | 8.186274 | -.23496892 |
| 4 | 4s | 6.314674 | -.07390639 |
| 5 | 5s | 17.395572 | -.00972106 |
| 6 | 5s | 2.173834 | -.01348063 |
| 7 | 3s | 1.202905 | .01361905 |
| 8 | 3s | 56.051076 | -.00008740 |
| 9 | 4s | 97.516011 | .00001782 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489125 | < R2 > | .282124 | < 1/R > | 2.986717 | < 1/R**2 > | 36.481944 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.210357 | .92294942 |
| 2 | 1s | 21.008136 | .07318242 |
| 3 | 2s | 9.761498 | .01933245 |
| 4 | 3s | 12.256589 | -.01742138 |
| 5 | 4s | 14.614840 | .00802649 |
| 6 | 5s | 36.223983 | .00085416 |
| 7 | 3s | 57.843963 | -.00007335 |
| 8 | 5s | 1.317519 | -.00395904 |
| 9 | 4s | 1.152558 | .00405113 |
| 10 | 3s | 1.680970 | -.00041616 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103540 | < R2 > | .014398 | < 1/R > | 14.596726 | < 1/R**2 > | 429.656661 |
Total Energy= -317.88309607 a.u.
Kinetic Energy= 317.87645498 a.u.
Potential Energy= -635.75955106 a.u.
Virial Ratio = -2.00002089