(1s 2 2s 2 5p 1 ) 2 P C +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 3p | .611333 | -1.54998919 |
| 2 | 4p | .457480 | 4.51608692 |
| 3 | 5p | .431538 | -3.82945163 |
| 4 | 2p | 2.808472 | .06010364 |
| 5 | 5p | 3.132920 | .00883215 |
| 6 | 3p | 5.411127 | -.00463756 |
| 7 | 2p | 1.148851 | .19818972 |
| ORB.ENERGY,a.u. | -.091638 | ||
| NORM | .999997 | < R > | 15.916083 | < R2 > | 284.950587 | < 1/R > | .091108 | < 1/R**2 > | .032665 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.425510 | .27045317 |
| 2 | 2s | 1.850568 | -.73628084 |
| 3 | 3s | 2.992830 | -.27864287 |
| 4 | 4s | 7.839786 | .01290777 |
| 5 | 5s | 2.736336 | -.04702905 |
| 6 | 3s | 8.227831 | .00744812 |
| 7 | 5s | 33.821218 | -.00004105 |
| ORB.ENERGY,a.u. | -1.581600 | ||
| NORM | 1.000000 | < R > | 1.373531 | < R2 > | 2.220127 | < 1/R > | 1.032938 | < 1/R**2 > | 4.272562 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.203215 | .71561914 |
| 2 | 1s | 8.162037 | .23031102 |
| 3 | 2s | 6.405603 | .08089461 |
| 4 | 3s | 6.876690 | -.01387236 |
| 5 | 4s | 11.030283 | .00538674 |
| 6 | 5s | 7.344816 | -.00200060 |
| 7 | 3s | 22.860193 | -.00008332 |
| ORB.ENERGY,a.u. | -12.362000 |
| NORM | 1.000000 | < R > | .267429 | < R2 > | .096266 | < 1/R > | 5.676970 | < 1/R**2 > | 65.448783 |
Total Energy= -36.50013147 a.u.
Kinetic Energy= 36.50013276 a.u.
Potential Energy= -73.00026422 a.u.
Virial Ratio = -1.99999996