(1s 2 2s 2 2p 1 5s 1 ) 1 P Cl 11+
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 | 12.799359 | .09829241 |
| 2 | 2s | 4.059499 | -.98728324 |
| 3 | 3s | 3.099891 | 4.10733939 |
| 4 | 4s | 2.584529 | -8.46118603 |
| 5 | 5s | 2.508086 | 5.95081129 |
| 6 | 5s | 19.365662 | -.00388144 |
| 7 | 4s | 9.226002 | -.03387025 |
| ORB.ENERGY,a.u. | -3.133000 | ||
| NORM | .999999 | < R > | 2.882360 | < R2 > | 9.298293 | < 1/R > | .505340 | < 1/R**2 > | 2.510039 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.114109 | 1.08217422 |
| 2 | 3p | 8.543521 | -.09375907 |
| 3 | 2p | 17.135739 | .01373803 |
| 4 | 5p | 22.186895 | .00246505 |
| 5 | 5p | 5.987985 | .00858966 |
| 6 | 4p | 5.408223 | -.01049789 |
| ORB.ENERGY,a.u. | -23.623000 | ||
| NORM | 1.000000 | < R > | .342229 | < R2 > | .141595 | < 1/R > | 3.687931 | < 1/R**2 > | 18.370043 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.909889 | .37236377 |
| 2 | 2s | 6.120988 | -.83853694 |
| 3 | 3s | 9.670227 | -.31164169 |
| 4 | 4s | 6.635559 | .09304817 |
| 5 | 5s | 19.248855 | -.00933886 |
| 6 | 5s | 2.182857 | .02068158 |
| 7 | 4s | 1.940224 | -.02040971 |
| 8 | 3s | 18.941279 | -.00010412 |
| 9 | 5s | 43.700597 | .00032668 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .395825 | < R2 > | .183271 | < 1/R > | 3.715635 | < 1/R**2 > | 55.790737 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.189821 | .93582363 |
| 2 | 1s | 24.726448 | .06179315 |
| 3 | 2s | 14.429486 | .02042391 |
| 4 | 3s | 17.748468 | -.01529669 |
| 5 | 4s | 58.287730 | -.00014488 |
| 6 | 5s | 41.272778 | .00038300 |
| 7 | 5s | 3.166317 | .00115889 |
| 8 | 3s | 1.802511 | -.00119867 |
| 9 | 3s | 70.678528 | -.00006739 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090555 | < R2 > | .010980 | < 1/R > | 16.646033 | < 1/R**2 > | 557.461863 |
Total Energy= -362.55867265 a.u.
Kinetic Energy= 362.54967702 a.u.
Potential Energy= -725.10834968 a.u.
Virial Ratio = -2.00002481