(1s 2 2s 2 2p 2 4p 1 ) 2 D F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 4p- electron | |
| 1 | 2p | 3.361371 | .13549141 |
| 2 | 3p | .954509 | -1.31492872 |
| 3 | 4p | .852094 | 2.13448035 |
| 4 | 5p | 1.738929 | -.20768992 |
| 5 | 2p | 9.760654 | .00187275 |
| 6 | 5p | 1.090880 | -.18942170 |
| 7 | 5p | 3.962964 | .04295969 |
| ORB.ENERGY,a.u. | -.345360 | ||
| NORM | 1.000002 | < R > | 6.249675 | < R2 > | 44.007324 | < 1/R > | .209831 | < 1/R**2 > | .102718 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.783094 | .80050707 |
| 2 | 2p | 4.830236 | .20611115 |
| 3 | 2p | 10.930135 | .00596538 |
| 4 | 3p | 1.104191 | -.03347355 |
| 5 | 4p | .663927 | .10166206 |
| 6 | 4p | 5.103087 | .01610728 |
| 7 | 3p | 2.068606 | .01571085 |
| 8 | 5p | 19.852472 | -.00027924 |
| 9 | 5p | .718932 | -.06404437 |
| ORB.ENERGY,a.u. | -2.942900 | ||
| NORM | 1.000000 | < R > | .815349 | < R2 > | .836457 | < 1/R > | 1.583411 | < 1/R**2 > | 3.473217 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.462069 | .33140604 |
| 2 | 2s | 3.406303 | -.84971071 |
| 3 | 3s | 3.105410 | -.25799429 |
| 4 | 4s | 10.513023 | .01293393 |
| 5 | 3s | 11.392735 | .01194123 |
| 6 | 5s | 3.080041 | -.01356009 |
| 7 | 5s | 37.760814 | -.00008382 |
| 8 | 3s | 1.609589 | .00092753 |
| 9 | 2s | 51.471886 | .00001228 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .881446 | < R2 > | .918514 | < 1/R > | 1.635314 | < 1/R**2 > | 10.889598 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.277714 | .68787687 |
| 2 | 1s | 12.188394 | .22286635 |
| 3 | 1s | 2.692496 | .00562099 |
| 4 | 2s | 9.052158 | .12782816 |
| 5 | 3s | 10.130762 | -.02745907 |
| 6 | 4s | 17.044982 | .00331710 |
| 7 | 5s | 4.786663 | -.00125928 |
| 8 | 5s | 52.795983 | -.00003367 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175239 | < R2 > | .041304 | < 1/R > | 8.645003 | < 1/R**2 > | 151.217480 |
Total Energy= -95.66924745 a.u.
Kinetic Energy= 95.66494923 a.u.
Potential Energy= -191.33419669 a.u.
Virial Ratio = -2.00004493