(1s 2 2s 2 2p 3 3p 1 ) 5 P S 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5131.
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 | 3p | 3.414614 | -2.10434411 |
| 2 | 2p | 9.768211 | .11088944 |
| 3 | 4p | 5.916465 | -.14011483 |
| 4 | 5p | 15.931730 | .00533216 |
| 5 | 5p | 2.777641 | -.04399826 |
| 6 | 4p | 33.650156 | -.00035639 |
| 7 | 4p | 2.460830 | .04498416 |
| 8 | 3p | 51.644364 | -.00002741 |
| 9 | 2p | 3.171390 | 1.42392334 |
| ORB.ENERGY,a.u. | -5.401100 | ||
| NORM | 1.000000 | < R > | 1.159381 | < R2 > | 1.539850 | < 1/R > | 1.176154 | < 1/R**2 > | 2.922657 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.238810 | 1.30515729 |
| 2 | 3p | 8.011305 | -.37872196 |
| 3 | 4p | 10.008488 | .06948326 |
| 4 | 4p | 25.562159 | -.00187318 |
| 5 | 5p | 5.219378 | .00788712 |
| 6 | 3p | 30.884153 | -.00039946 |
| 7 | 4p | 4.961463 | -.00223721 |
| ORB.ENERGY,a.u. | -15.405000 | ||
| NORM | 1.000000 | < R > | .391170 | < R2 > | .186627 | < 1/R > | 3.258269 | < 1/R**2 > | 14.497044 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.663696 | .40908598 |
| 2 | 2s | 6.866803 | -.86249424 |
| 3 | 3s | 6.573621 | -.28951329 |
| 4 | 4s | 27.043120 | .00187277 |
| 5 | 3s | 14.834192 | .01641815 |
| 6 | 5s | 6.235313 | -.01193861 |
| ORB.ENERGY,a.u. | -15.605000 | ||
| NORM | 1.000000 | < R > | .444340 | < R2 > | .232046 | < 1/R > | 3.296251 | < 1/R**2 > | 44.275289 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.173928 | .93745318 |
| 2 | 1s | 23.643393 | .06052394 |
| 3 | 2s | 13.665212 | .01848960 |
| 4 | 3s | 19.240130 | -.01476649 |
| 5 | 4s | 29.424428 | .00271656 |
| 6 | 5s | 56.095737 | .00008294 |
| 7 | 5s | 12.157174 | .00058694 |
| ORB.ENERGY,a.u. | -100.270000 |
| NORM | 1.000000 | < R > | .096763 | < R2 > | .012561 | < 1/R > | 15.605447 | < 1/R**2 > | 490.697872 |
Total Energy= -356.73317678 a.u.
Kinetic Energy= 356.80035242 a.u.
Potential Energy= -713.53352920 a.u.
Virial Ratio = -1.99981173