(1s 2 2s 2 2p 1 4d 1 ) 3 F Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | 4d- electron | |
| 1 | 3d | 3.562576 | 1.22466003 |
| 2 | 4d | 3.004506 | -1.74277723 |
| 3 | 3d | 7.262352 | .03968278 |
| 4 | 5d | 2.306217 | .01994271 |
| 5 | 4d | 25.052495 | .00042025 |
| 6 | 5d | 16.285394 | .00245933 |
| 7 | 3d | 34.748360 | .00004748 |
| 8 | 4d | 2.033500 | -.01852241 |
| ORB.ENERGY,a.u. | -4.640300 | ||
| NORM | 1.000000 | < R > | 1.689675 | < R2 > | 3.267198 | < 1/R > | .783828 | < 1/R**2 > | 1.010132 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.165010 | 1.07527206 |
| 2 | 3p | 8.898757 | -.08892257 |
| 3 | 2p | 17.401038 | .01160749 |
| 4 | 5p | 20.975910 | .00270259 |
| 5 | 5p | 4.305992 | -.00153606 |
| 6 | 4p | 6.320220 | .00383044 |
| 7 | 5p | 51.797759 | -.00004501 |
| ORB.ENERGY,a.u. | -23.364000 | ||
| NORM | 1.000000 | < R > | .342774 | < R2 > | .142043 | < 1/R > | 3.682743 | < 1/R**2 > | 18.323703 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.565632 | .38495970 |
| 2 | 2s | 6.573531 | -.81429519 |
| 3 | 3s | 9.412837 | -.28522706 |
| 4 | 4s | 31.732049 | .00114237 |
| 5 | 5s | 18.421247 | -.00929648 |
| 6 | 5s | 7.250138 | .01666790 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396402 | < R2 > | .183782 | < 1/R > | 3.709354 | < 1/R**2 > | 55.609247 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.197055 | .93722534 |
| 2 | 1s | 24.935221 | .05998391 |
| 3 | 2s | 14.923818 | .02005178 |
| 4 | 3s | 18.283300 | -.01483900 |
| 5 | 4s | 82.276836 | -.00006327 |
| 6 | 5s | 39.013370 | .00066440 |
| 7 | 5s | 9.651707 | .00004782 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090550 | < R2 > | .010978 | < 1/R > | 16.646751 | < 1/R**2 > | 557.501608 |
Total Energy= -364.03263633 a.u.
Kinetic Energy= 364.06187740 a.u.
Potential Energy= -728.09451373 a.u.
Virial Ratio = -1.99991968