(1s 2 2s 2 2p 1 4p 1 ) 3 S C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | .477944 | .32377843 |
| 2 | 3p | .526680 | -.90771113 |
| 3 | 4p | .296752 | 1.42741831 |
| 4 | 5p | .499978 | -.38181806 |
| 5 | 2p | 2.502672 | .04585772 |
| 6 | 5p | 2.787099 | .00957791 |
| 7 | 3p | 5.242937 | -.00265245 |
| ORB.ENERGY,a.u. | -.043249 | ||
| NORM | .999998 | < R > | 16.857769 | < R2 > | 321.415189 | < 1/R > | .077675 | < 1/R**2 > | .014038 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.589376 | .80122126 |
| 2 | 2p | 2.532592 | .24229914 |
| 3 | 2p | 6.451548 | .01093070 |
| 4 | 3p | 2.750981 | -.05231771 |
| 5 | 4p | 1.495187 | .04283750 |
| 6 | 4p | 10.403396 | -.00077446 |
| ORB.ENERGY,a.u. | -.778080 | ||
| NORM | 1.000000 | < R > | 1.469655 | < R2 > | 2.678201 | < 1/R > | .886555 | < 1/R**2 > | 1.106283 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.579496 | .24022509 |
| 2 | 2s | 1.546126 | -.76688827 |
| 3 | 3s | 2.877236 | -.27089438 |
| 4 | 4s | 11.471420 | .00213371 |
| 5 | 5s | 5.910520 | -.02772603 |
| 6 | 5s | 1.883204 | .03191705 |
| 7 | 2s | 29.626613 | -.00000683 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.476454 | < R2 > | 2.593037 | < 1/R > | .960596 | < 1/R**2 > | 3.712028 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212825 | .71608801 |
| 2 | 1s | 8.200435 | .22615184 |
| 3 | 1s | 2.394531 | .00359134 |
| 4 | 2s | 6.450475 | .08048251 |
| 5 | 3s | 6.776893 | -.01402831 |
| 6 | 4s | 10.924661 | .00564412 |
| 7 | 5s | 42.279991 | -.00002687 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268111 | < R2 > | .096887 | < 1/R > | 5.668387 | < 1/R**2 > | 65.300778 |
Total Energy= -37.33582554 a.u.
Kinetic Energy= 37.33073252 a.u.
Potential Energy= -74.66655805 a.u.
Virial Ratio = -2.00013643