(1s 2 2s 2 2p 5 5s 1 ) 1 P S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1150.
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 | 5s- electron | |
| 1 | 1s | 13.581463 | .05461708 |
| 2 | 2s | 4.235793 | -.31450744 |
| 3 | 3s | 2.353697 | 1.54952435 |
| 4 | 4s | 1.737642 | -3.92742379 |
| 5 | 5s | 1.578248 | 3.28655670 |
| 6 | 5s | 13.264160 | -.01227303 |
| 7 | 4s | 17.099425 | -.00919243 |
| 8 | 5s | 43.703710 | -.00031481 |
| 9 | 4s | 64.662116 | -.00007858 |
| ORB.ENERGY,a.u. | -1.215300 | ||
| NORM | 1.000001 | < R > | 4.338077 | < R2 > | 21.060788 | < 1/R > | .326915 | < 1/R**2 > | 1.031924 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.372709 | 1.20342190 |
| 2 | 3p | 6.338623 | -.27544399 |
| 3 | 2p | 12.138455 | .07119886 |
| 4 | 5p | 36.980250 | -.00014044 |
| 5 | 4p | 14.652082 | .01078577 |
| 6 | 5p | 3.769483 | .00031709 |
| ORB.ENERGY,a.u. | -11.717000 | ||
| NORM | 1.000000 | < R > | .420012 | < R2 > | .217269 | < 1/R > | 3.070871 | < 1/R**2 > | 13.053201 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.108040 | .33368883 |
| 2 | 2s | 5.607963 | -.77749880 |
| 3 | 3s | 9.107684 | -.22643141 |
| 4 | 4s | 7.054744 | -.06997207 |
| 5 | 5s | 19.136383 | -.00751349 |
| 6 | 5s | 1.315165 | .02175309 |
| 7 | 4s | 1.134678 | -.02041541 |
| 8 | 3s | 47.331264 | -.00007221 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462321 | < R2 > | .252377 | < 1/R > | 3.162025 | < 1/R**2 > | 40.993218 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.178268 | .92225275 |
| 2 | 1s | 22.255382 | .07376655 |
| 3 | 2s | 9.978030 | .02018974 |
| 4 | 3s | 12.453836 | -.01958412 |
| 5 | 4s | 15.071979 | .00985601 |
| 6 | 5s | 38.368542 | .00073537 |
| 7 | 3s | 59.456358 | -.00008218 |
| 8 | 5s | 1.025665 | -.00178630 |
| 9 | 4s | .838022 | .00163962 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097014 | < R2 > | .012644 | < 1/R > | 15.580249 | < 1/R**2 > | 489.477985 |
Total Energy= -378.50285356 a.u.
Kinetic Energy= 378.49781965 a.u.
Potential Energy= -757.00067321 a.u.
Virial Ratio = -2.00001330