(1s 2 2s 2 2p 4 3p 1 ) 2 D F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 3p- electron | |
| 1 | 3p | .619711 | -.80831427 |
| 2 | 2p | 1.844597 | .07384612 |
| 3 | 2p | 4.625733 | .03668584 |
| 4 | 4p | 4.721714 | .01170001 |
| 5 | 5p | .590372 | -.23427810 |
| 6 | 5p | 17.980807 | -.00022074 |
| 7 | 4p | .391027 | -.01840407 |
| 8 | 3p | 57.323137 | .00000661 |
| ORB.ENERGY,a.u. | -.102790 | ||
| NORM | 1.000000 | < R > | 6.481339 | < R2 > | 48.516639 | < 1/R > | .187840 | < 1/R**2 > | .062225 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.784009 | .67129322 |
| 2 | 2p | 6.023000 | .12163887 |
| 3 | 3p | 2.120748 | .25229946 |
| 4 | 4p | 6.356025 | .04757651 |
| 5 | 5p | 11.595142 | .00276682 |
| 6 | 5p | .452925 | .01325905 |
| 7 | 4p | .397664 | -.01563634 |
| ORB.ENERGY,a.u. | -.970410 | ||
| NORM | 1.000000 | < R > | .969421 | < R2 > | 1.193377 | < 1/R > | 1.377898 | < 1/R**2 > | 2.731995 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.493187 | .30219242 |
| 2 | 2s | 3.281433 | -.83637981 |
| 3 | 3s | 2.600197 | -.31961714 |
| 4 | 4s | 4.833905 | .02944577 |
| 5 | 3s | 8.758549 | .02679286 |
| 6 | 5s | 19.440371 | .00064557 |
| 7 | 5s | 2.148654 | -.00451135 |
| 8 | 2s | 44.036730 | .00001128 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .961488 | < R2 > | 1.110118 | < 1/R > | 1.502548 | < 1/R**2 > | 9.287079 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.231413 | .87195887 |
| 2 | 1s | 12.229812 | .12117354 |
| 3 | 1s | 9.912544 | .00268633 |
| 4 | 2s | 6.000638 | .01820117 |
| 5 | 3s | 8.201593 | -.00759649 |
| 6 | 4s | 17.128438 | .00293706 |
| 7 | 5s | 51.661308 | -.00004137 |
| 8 | 5s | 4.180908 | .00044352 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175673 | < R2 > | .041565 | < 1/R > | 8.632341 | < 1/R**2 > | 150.884391 |
Total Energy= -98.93522373 a.u.
Kinetic Energy= 98.93451129 a.u.
Potential Energy= -197.86973502 a.u.
Virial Ratio = -2.00000720