(1s 2 2s 2 2p 1 4d 1 ) 1 D Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 3.559975 | 1.23513631 |
| 2 | 4d | 3.007187 | -1.75075241 |
| 3 | 3d | 7.059717 | .03693202 |
| 4 | 5d | 21.049222 | -.00035772 |
| 5 | 4d | 14.038165 | .00350267 |
| 6 | 5d | 2.231870 | .01693244 |
| 7 | 3d | 22.731936 | .00025687 |
| 8 | 4d | 1.945499 | -.01530013 |
| ORB.ENERGY,a.u. | -4.642900 | ||
| NORM | 1.000000 | < R > | 1.689548 | < R2 > | 3.267002 | < 1/R > | .783525 | < 1/R**2 > | 1.007048 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.138712 | 1.08542595 |
| 2 | 3p | 8.706465 | -.09760038 |
| 3 | 2p | 17.505889 | .01143285 |
| 4 | 5p | 21.451559 | .00193249 |
| 5 | 4p | 34.159675 | -.00016315 |
| 6 | 5p | 4.238792 | -.00075232 |
| 7 | 4p | 5.961456 | .00199942 |
| ORB.ENERGY,a.u. | -23.367000 | ||
| NORM | 1.000000 | < R > | .342748 | < R2 > | .142046 | < 1/R > | 3.683243 | < 1/R**2 > | 18.328496 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.560481 | .38516377 |
| 2 | 2s | 6.578039 | -.81438732 |
| 3 | 3s | 9.416222 | -.28535061 |
| 4 | 4s | 31.468638 | .00124485 |
| 5 | 5s | 18.400328 | -.00886056 |
| 6 | 5s | 7.226369 | .01608887 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396402 | < R2 > | .183783 | < 1/R > | 3.709361 | < 1/R**2 > | 55.609506 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.197042 | .93706941 |
| 2 | 1s | 24.920209 | .06012029 |
| 3 | 2s | 14.894061 | .02010057 |
| 4 | 3s | 18.244548 | -.01485923 |
| 5 | 4s | 82.015449 | -.00006429 |
| 6 | 5s | 38.998868 | .00065445 |
| 7 | 4s | 8.033059 | .00004727 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090550 | < R2 > | .010978 | < 1/R > | 16.646745 | < 1/R**2 > | 557.501330 |
Total Energy= -364.03274964 a.u.
Kinetic Energy= 364.06451977 a.u.
Potential Energy= -728.09726941 a.u.
Virial Ratio = -1.99991273