(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 1 D S 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 5p | 2.172061 | -.14543617 |
| 2 | 4p | 1.003173 | 1.36674276 |
| 3 | 5p | .761558 | -1.63287839 |
| 4 | 3p | 2.334632 | -.17097483 |
| 5 | 2p | 10.526127 | .00725144 |
| 6 | 2p | 5.034306 | .04406376 |
| 7 | 4p | 13.929243 | .00089428 |
| ORB.ENERGY,a.u. | -.268990 | ||
| NORM | 1.000001 | < R > | 8.124812 | < R2 > | 73.524945 | < 1/R > | .151998 | < 1/R**2 > | .049685 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.604280 | .34142439 |
| 2 | 2p | 1.670286 | -.46423207 |
| 3 | 3p | 2.159701 | -.67047139 |
| 4 | 2p | 9.002682 | .09406793 |
| 5 | 3p | 14.507283 | -.00333584 |
| 6 | 4p | 1.053056 | .11233461 |
| 7 | 5p | .756556 | -.13150267 |
| 8 | 4p | 32.060828 | -.00012690 |
| ORB.ENERGY,a.u. | -1.255200 | ||
| NORM | 1.000000 | < R > | 1.677915 | < R2 > | 3.561943 | < 1/R > | .809295 | < 1/R**2 > | 1.446588 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.958631 | -.41613068 |
| 2 | 1s | 11.414712 | .19989637 |
| 3 | 1s | 51.548769 | .00014394 |
| 4 | 2s | 5.308770 | -.15612804 |
| 5 | 3s | 2.530792 | 1.02982890 |
| 6 | 4s | 4.466752 | .08720973 |
| 7 | 3s | 32.816748 | -.00063247 |
| 8 | 5s | 2.396298 | .10440857 |
| ORB.ENERGY,a.u. | -1.708600 | ||
| NORM | 1.000000 | < R > | 1.542330 | < R2 > | 2.712444 | < 1/R > | .877152 | < 1/R**2 > | 4.457137 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 19.501273 | .00327601 |
| 2 | 2p | 8.914419 | .44643924 |
| 3 | 3p | 6.902437 | .50707903 |
| 4 | 5p | 3.907286 | .00490691 |
| 5 | 4p | 5.530865 | .14863035 |
| 6 | 5p | 30.125506 | -.00020645 |
| 7 | 4p | 34.149529 | -.00017418 |
| 8 | 3p | 1.394233 | .00014240 |
| ORB.ENERGY,a.u. | -7.544900 | ||
| NORM | 1.000000 | < R > | .440051 | < R2 > | .240800 | < 1/R > | 2.959311 | < 1/R**2 > | 12.237099 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.010098 | .36726520 |
| 2 | 2s | 6.304871 | -.76623665 |
| 3 | 3s | 5.326075 | -.16180947 |
| 4 | 4s | 23.815803 | .00247474 |
| 5 | 2s | 5.337567 | -.19451152 |
| 6 | 3s | 17.704276 | .00547844 |
| 7 | 4s | 3.687090 | -.00174387 |
| 8 | 5s | 46.060893 | .00011752 |
| ORB.ENERGY,a.u. | -9.849800 | ||
| NORM | 1.000000 | < R > | .474395 | < R2 > | .266753 | < 1/R > | 3.081493 | < 1/R**2 > | 39.091028 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554867 | 1.01450073 |
| 2 | 2s | 20.546552 | -.02542402 |
| 3 | 3s | 12.088460 | .02045883 |
| 4 | 4s | 16.289038 | -.00018717 |
| 5 | 4s | 31.381926 | .00163452 |
| 6 | 2s | 66.442067 | .00001881 |
| 7 | 5s | 14.503085 | -.00547653 |
| 8 | 3s | 6.590163 | .00045232 |
| 9 | 4s | 3.601931 | -.00001416 |
| ORB.ENERGY,a.u. | -92.338000 |
| NORM | 1.000000 | < R > | .097136 | < R2 > | .012682 | < 1/R > | 15.567997 | < 1/R**2 > | 488.881177 |
Total Energy= -395.34977173 a.u.
Kinetic Energy= 395.34616763 a.u.
Potential Energy= -790.69593936 a.u.
Virial Ratio = -2.00000912