(1s 2 2s 2 2p 5 3p 1 ) 1 P S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 2p | 4.831013 | .51180667 |
| 2 | 3p | 2.673766 | -1.16681189 |
| 3 | 4p | 7.533697 | -.07278443 |
| 4 | 2p | 11.489760 | .04424454 |
| 5 | 5p | 19.582539 | .00196988 |
| 6 | 5p | 2.847859 | .02535311 |
| 7 | 3p | 34.090774 | -.00002499 |
| ORB.ENERGY,a.u. | -3.506700 | ||
| NORM | 1.000000 | < R > | 1.383418 | < R2 > | 2.187631 | < 1/R > | .972555 | < 1/R**2 > | 2.048564 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.308611 | 1.21521460 |
| 2 | 3p | 6.198639 | -.29247824 |
| 3 | 2p | 12.125373 | .07406312 |
| 4 | 4p | 14.682761 | .01212812 |
| 5 | 5p | 4.069716 | .00099093 |
| 6 | 5p | 84.112516 | .00001445 |
| ORB.ENERGY,a.u. | -11.059000 | ||
| NORM | 1.000000 | < R > | .421031 | < R2 > | .218498 | < 1/R > | 3.065373 | < 1/R**2 > | 13.013129 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.863915 | .38204527 |
| 2 | 2s | 6.656513 | -.83823043 |
| 3 | 3s | 5.944588 | -.30418589 |
| 4 | 4s | 17.125622 | .00396824 |
| 5 | 3s | 17.519404 | .00735376 |
| 6 | 5s | 32.575227 | .00109429 |
| 7 | 5s | 5.246978 | -.00491397 |
| 8 | 4s | 39.195566 | .00027578 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .463852 | < R2 > | .254137 | < 1/R > | 3.151891 | < 1/R**2 > | 40.753682 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.176415 | .92318654 |
| 2 | 1s | 22.289981 | .07311074 |
| 3 | 2s | 9.414051 | .02077385 |
| 4 | 3s | 11.622612 | -.02137204 |
| 5 | 4s | 14.345997 | .01079611 |
| 6 | 5s | 38.288976 | .00066660 |
| 7 | 4s | 82.861715 | -.00004317 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097030 | < R2 > | .012647 | < 1/R > | 15.578525 | < 1/R**2 > | 489.393530 |
Total Energy= -380.80772813 a.u.
Kinetic Energy= 380.78856210 a.u.
Potential Energy= -761.59629023 a.u.
Virial Ratio = -2.00005033