(1s 2 2s 2 2p 1 4p 1 ) 3 D P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | 6.712444 | .31312579 |
| 2 | 3p | 2.821253 | -.75776401 |
| 3 | 5p | 2.901086 | 1.29158438 |
| 4 | 4p | 4.136831 | -.45311778 |
| 5 | 5p | 8.500909 | .03392123 |
| 6 | 4p | 20.536375 | -.00281028 |
| 7 | 5p | 2.550302 | .30004608 |
| 8 | 5p | 44.412033 | -.00030526 |
| 9 | 4p | 66.396557 | -.00006874 |
| ORB.ENERGY,a.u. | -3.397500 | ||
| NORM | 1.000000 | < R > | 2.119367 | < R2 > | 5.082000 | < 1/R > | .669618 | < 1/R**2 > | 1.244930 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.168552 | 1.08399237 |
| 2 | 3p | 7.558710 | -.10048931 |
| 3 | 2p | 14.425671 | .01551273 |
| 4 | 5p | 16.483836 | .00250650 |
| 5 | 4p | 29.617584 | -.00063956 |
| 6 | 5p | 6.368870 | .00350468 |
| 7 | 5p | 89.552363 | -.00001340 |
| ORB.ENERGY,a.u. | -17.019000 | ||
| NORM | 1.000000 | < R > | .396476 | < R2 > | .190307 | < 1/R > | 3.188595 | < 1/R**2 > | 13.760139 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.947806 | .37254727 |
| 2 | 2s | 5.660832 | -.80862749 |
| 3 | 3s | 8.199149 | -.28197765 |
| 4 | 4s | 28.131558 | .00134371 |
| 5 | 5s | 15.908212 | -.01074002 |
| 6 | 5s | 6.290504 | .01639107 |
| 7 | 4s | 3.031504 | .00038989 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456969 | < R2 > | .244366 | < 1/R > | 3.208791 | < 1/R**2 > | 41.652402 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.163788 | .93101091 |
| 2 | 1s | 21.908354 | .06856210 |
| 3 | 2s | 13.092156 | .01921463 |
| 4 | 3s | 16.150148 | -.01647881 |
| 5 | 4s | 74.723989 | -.00006250 |
| 6 | 5s | 34.436796 | .00081311 |
| 7 | 5s | 8.894648 | .00003992 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102985 | < R2 > | .014208 | < 1/R > | 14.646634 | < 1/R**2 > | 431.933692 |
Total Energy= -279.46840078 a.u.
Kinetic Energy= 279.49054274 a.u.
Potential Energy= -558.95894353 a.u.
Virial Ratio = -1.99992078