(1s 2 2s 2 2p 2 5p 1 ) 2 P S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | 4.057627 | .42112125 |
| 2 | 3p | 2.400617 | -3.49279563 |
| 3 | 4p | 2.149419 | 7.83632526 |
| 4 | 5p | 2.070373 | -5.37247528 |
| 5 | 2p | 10.001180 | .03779346 |
| 6 | 5p | 40.429036 | -.00018768 |
| 7 | 4p | 67.816347 | -.00002168 |
| 8 | 4p | 1.429815 | -.00795336 |
| ORB.ENERGY,a.u. | -2.129000 | ||
| NORM | 1.000005 | < R > | 3.430625 | < R2 > | 13.234658 | < 1/R > | .413492 | < 1/R**2 > | .560812 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.532231 | 1.21557150 |
| 2 | 3p | 8.562738 | -.26401927 |
| 3 | 4p | 10.762629 | .04772986 |
| 4 | 5p | 2.568367 | .06771646 |
| 5 | 4p | 1.910526 | -.06810535 |
| 6 | 5p | 32.755521 | -.00125260 |
| 7 | 4p | 45.738574 | -.00037547 |
| 8 | 3p | 77.718406 | -.00001703 |
| ORB.ENERGY,a.u. | -18.115000 | ||
| NORM | 1.000000 | < R > | .377782 | < R2 > | .174460 | < 1/R > | 3.357433 | < 1/R**2 > | 15.299505 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.623525 | .42197178 |
| 2 | 2s | 6.970401 | -.86307584 |
| 3 | 3s | 7.117058 | -.28392167 |
| 4 | 4s | 26.943205 | .00205999 |
| 5 | 3s | 14.856228 | .01739061 |
| 6 | 5s | 7.158522 | -.02231672 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433316 | < R2 > | .220040 | < 1/R > | 3.384135 | < 1/R**2 > | 46.472303 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.111751 | .92673301 |
| 2 | 1s | 23.114358 | .07200457 |
| 3 | 2s | 14.108327 | .01948703 |
| 4 | 3s | 17.756266 | -.01558678 |
| 5 | 5s | 37.653383 | .00090236 |
| 6 | 4s | 89.371505 | -.00003603 |
| 7 | 5s | 11.948694 | .00035317 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096564 | < R2 > | .012499 | < 1/R > | 15.626147 | < 1/R**2 > | 491.710126 |
Total Energy= -337.08012928 a.u.
Kinetic Energy= 337.05645581 a.u.
Potential Energy= -674.13658509 a.u.
Virial Ratio = -2.00007024