(1s 2 2s 2 2p 4 3s 1 ) 4 P P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4130.
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 | 3s- electron | |
| 1 | 1s | 12.651606 | .14980487 |
| 2 | 2s | 4.472096 | -.65206097 |
| 3 | 3s | 2.866675 | 1.28600776 |
| 4 | 4s | 12.744730 | -.01693618 |
| 5 | 5s | 67.585755 | -.00003613 |
| 6 | 3s | 8.078778 | -.05418898 |
| 7 | 5s | 2.853534 | -.02167724 |
| 8 | 4s | 2.426338 | .01335036 |
| 9 | 2s | 136.864764 | .00000127 |
| ORB.ENERGY,a.u. | -3.924700 | ||
| NORM | 1.000000 | < R > | 1.359794 | < R2 > | 2.098481 | < 1/R > | 1.037309 | < 1/R**2 > | 6.545963 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.947899 | 1.20636637 |
| 2 | 3p | 5.587167 | -.30146706 |
| 3 | 2p | 11.175359 | .08285227 |
| 4 | 4p | 11.322746 | .03345044 |
| 5 | 5p | 12.367168 | -.01585372 |
| 6 | 5p | 2.693273 | .00017521 |
| 7 | 3p | 45.096109 | .00003076 |
| ORB.ENERGY,a.u. | -10.429000 | ||
| NORM | 1.000000 | < R > | .442634 | < R2 > | .240735 | < 1/R > | 2.904757 | < 1/R**2 > | 11.637202 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.185865 | .33566765 |
| 2 | 2s | 5.135122 | -.84775416 |
| 3 | 3s | 8.209716 | -.21933052 |
| 4 | 4s | 3.130395 | -.04662119 |
| 5 | 5s | 17.461584 | -.01144821 |
| 6 | 4s | 29.770913 | -.00089883 |
| 7 | 3s | 2.660513 | .04640211 |
| 8 | 4s | 1.092221 | -.00459430 |
| 9 | 5s | 1.243048 | .00404980 |
| 10 | 5s | 41.019727 | .00049058 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .492523 | < R2 > | .286791 | < 1/R > | 2.970222 | < 1/R**2 > | 36.135416 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.214983 | .92106781 |
| 2 | 1s | 20.657160 | .07589051 |
| 3 | 2s | 5.466171 | .03538886 |
| 4 | 3s | 6.210106 | -.04089276 |
| 5 | 4s | 6.861601 | .01324564 |
| 6 | 5s | 37.203714 | .00081069 |
| 7 | 4s | 85.718876 | -.00002810 |
| 8 | 5s | 3.377944 | .00027053 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103531 | < R2 > | .014394 | < 1/R > | 14.597326 | < 1/R**2 > | 429.679248 |
Total Energy= -320.57647432 a.u.
Kinetic Energy= 320.60354457 a.u.
Potential Energy= -641.18001889 a.u.
Virial Ratio = -1.99991556