(1s 2 2s 1 3s 1 ) 3 S P 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 1s | 10.756692 | .26026034 |
| 2 | 2s | 4.781942 | -1.35016896 |
| 3 | 3s | 4.125011 | 1.92533486 |
| 4 | 4s | 7.600670 | -.11123175 |
| 5 | 5s | 13.141000 | -.02088424 |
| 6 | 4s | 25.248285 | .00244933 |
| 7 | 5s | 4.055426 | -.01255083 |
| 8 | 3s | 34.469802 | .00022780 |
| ORB.ENERGY,a.u. | -8.747600 | ||
| NORM | 1.000000 | < R > | 1.039129 | < R2 > | 1.221763 | < 1/R > | 1.397895 | < 1/R**2 > | 11.668022 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.439661 | .41864323 |
| 2 | 2s | 6.338322 | -.80393476 |
| 3 | 3s | 7.902127 | -.29943060 |
| 4 | 5s | 13.799228 | -.02611551 |
| 5 | 4s | 27.037623 | .00265279 |
| 6 | 5s | 7.618449 | .00715495 |
| 7 | 4s | 59.684636 | .00006074 |
| ORB.ENERGY,a.u. | -21.452000 | ||
| NORM | 1.000000 | < R > | .436452 | < R2 > | .222246 | < 1/R > | 3.383765 | < 1/R**2 > | 46.184378 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.419122 | .93869999 |
| 2 | 1s | 22.843263 | .04900527 |
| 3 | 2s | 17.329712 | .01651470 |
| 4 | 3s | 10.009027 | .00172630 |
| 5 | 4s | 61.543581 | -.00043583 |
| 6 | 5s | 82.643515 | .00015781 |
| 7 | 5s | 16.261247 | .00022216 |
| 8 | 4s | 4.006858 | -.00028212 |
| ORB.ENERGY,a.u. | -97.975000 |
| NORM | 1.000000 | < R > | .102742 | < R2 > | .014131 | < 1/R > | 14.670924 | < 1/R**2 > | 433.089410 |
Total Energy= -246.82100562 a.u.
Kinetic Energy= 246.86600035 a.u.
Potential Energy= -493.68700598 a.u.
Virial Ratio = -1.99981774