(1s 2 2s 2 4p 1 ) 2 P Cl 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | 7.311664 | .40700448 |
| 2 | 3p | 3.559451 | -1.08514325 |
| 3 | 5p | 3.599015 | 1.57863498 |
| 4 | 4p | 5.348029 | -.33236050 |
| 5 | 5p | 9.046728 | .05303151 |
| 6 | 4p | 20.469281 | -.00481373 |
| 7 | 5p | 44.982717 | -.00065945 |
| 8 | 4p | 2.795334 | .12634066 |
| 9 | 4p | 69.086083 | -.00012992 |
| 10 | 5p | 1.288636 | -.00018710 |
| ORB.ENERGY,a.u. | -5.535400 | ||
| NORM | 1.000000 | < R > | 1.689506 | < R2 > | 3.235988 | < 1/R > | .851566 | < 1/R**2 > | 2.011659 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.153669 | .41027066 |
| 2 | 2s | 7.045971 | -.81592510 |
| 3 | 3s | 9.081893 | -.29029897 |
| 4 | 5s | 16.591385 | -.01311455 |
| 5 | 4s | 32.752102 | .00267486 |
| 6 | 5s | 47.157229 | -.00044523 |
| 7 | 5s | 6.044160 | .00174575 |
| ORB.ENERGY,a.u. | -28.813000 | ||
| NORM | 1.000000 | < R > | .388819 | < R2 > | .176548 | < 1/R > | 3.787229 | < 1/R**2 > | 57.764282 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.140162 | .93645846 |
| 2 | 1s | 25.461956 | .06163424 |
| 3 | 2s | 17.683191 | .01918361 |
| 4 | 3s | 19.302433 | -.01585156 |
| 5 | 5s | 38.260216 | .00087383 |
| 6 | 4s | 86.169844 | -.00005624 |
| 7 | 5s | 15.074883 | -.00012321 |
| ORB.ENERGY,a.u. | -127.280000 |
| NORM | 1.000000 | < R > | .090370 | < R2 > | .010925 | < 1/R > | 16.668159 | < 1/R**2 > | 558.619846 |
Total Energy= -340.88586541 a.u.
Kinetic Energy= 340.88585584 a.u.
Potential Energy= -681.77172126 a.u.
Virial Ratio = -2.00000003