(1s 2 2s 2 2p 3 4s 1 ) 5 S Ar 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5040.
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 | 4s- electron | |
| 1 | 1s | 14.171337 | .12156035 |
| 2 | 2s | 3.778842 | -1.55370428 |
| 3 | 3s | 3.622775 | 3.41718341 |
| 4 | 4s | 2.990135 | -2.34241336 |
| 5 | 5s | 5.032485 | -.19431054 |
| 6 | 4s | 14.822641 | -.01678470 |
| 7 | 5s | 19.700342 | .00081582 |
| 8 | 4s | 63.581896 | -.00004481 |
| ORB.ENERGY,a.u. | -4.468800 | ||
| NORM | 1.000000 | < R > | 1.859201 | < R2 > | 3.883341 | < 1/R > | .779283 | < 1/R**2 > | 4.946790 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.268537 | 1.25128492 |
| 2 | 3p | 9.454858 | -.32728629 |
| 3 | 4p | 11.987291 | .06957764 |
| 4 | 5p | 23.347817 | .00314995 |
| 5 | 4p | 4.918802 | .00429739 |
| 6 | 5p | 22.985064 | -.00012370 |
| 7 | 5p | 4.502583 | -.00160797 |
| ORB.ENERGY,a.u. | -22.135000 | ||
| NORM | 1.000000 | < R > | .337078 | < R2 > | .138097 | < 1/R > | 3.767540 | < 1/R**2 > | 19.307072 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.007678 | .43103923 |
| 2 | 2s | 7.930838 | -.88229736 |
| 3 | 3s | 7.523717 | -.29379319 |
| 4 | 4s | 30.818634 | .00174851 |
| 5 | 3s | 16.259022 | .01755969 |
| 6 | 5s | 5.658108 | -.00674101 |
| 7 | 4s | 2.827891 | .00668503 |
| ORB.ENERGY,a.u. | -21.808000 | ||
| NORM | 1.000000 | < R > | .386154 | < R2 > | .174964 | < 1/R > | 3.802848 | < 1/R**2 > | 58.823963 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.185922 | .94405311 |
| 2 | 1s | 26.689162 | .05347005 |
| 3 | 2s | 14.811800 | .01892074 |
| 4 | 3s | 20.877621 | -.01502480 |
| 5 | 4s | 30.494789 | .00264130 |
| 6 | 5s | 56.404529 | .00022532 |
| 7 | 5s | 7.393748 | .00037417 |
| 8 | 4s | 2.375879 | -.00038189 |
| ORB.ENERGY,a.u. | -130.480000 |
| NORM | 1.000000 | < R > | .085709 | < R2 > | .009849 | < 1/R > | 17.604602 | < 1/R**2 > | 623.947143 |
Total Energy= -457.62145377 a.u.
Kinetic Energy= 457.64093792 a.u.
Potential Energy= -915.26239170 a.u.
Virial Ratio = -1.99995742