(1s 2 2s 2 2p 1 5p 1 ) 3 P Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5.385548 | .35155088 |
| 2 | 3p | 2.789146 | -3.44580443 |
| 3 | 4p | 2.463990 | 9.58628996 |
| 4 | 5p | 2.475689 | -7.03437634 |
| 5 | 2p | 16.218339 | .00339530 |
| 6 | 5p | 4.661416 | -.16150252 |
| 7 | 5p | 14.060179 | -.00477068 |
| 8 | 4p | 27.424998 | -.00018008 |
| ORB.ENERGY,a.u. | -3.042100 | ||
| NORM | .999997 | < R > | 2.876778 | < R2 > | 9.312929 | < 1/R > | .473688 | < 1/R**2 > | .577656 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.331488 | 1.13433524 |
| 2 | 3p | 1.851998 | -.52231708 |
| 3 | 3p | 10.262468 | -.13084042 |
| 4 | 4p | 2.832284 | .23106572 |
| 5 | 5p | 3.088286 | .23678644 |
| 6 | 5p | 16.684208 | .01008200 |
| 7 | 4p | 33.562975 | -.00103619 |
| 8 | 5p | 1.974815 | .06207814 |
| 9 | 3p | 47.616739 | -.00010518 |
| ORB.ENERGY,a.u. | -23.632000 | ||
| NORM | 1.000000 | < R > | .347937 | < R2 > | .175171 | < 1/R > | 3.719518 | < 1/R**2 > | 18.692634 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.557989 | .38554653 |
| 2 | 2s | 6.581097 | -.81481316 |
| 3 | 3s | 9.417286 | -.28560547 |
| 4 | 4s | 31.625604 | .00126940 |
| 5 | 5s | 18.201863 | -.00889887 |
| 6 | 5s | 7.255229 | .01693460 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396128 | < R2 > | .183505 | < 1/R > | 3.712043 | < 1/R**2 > | 55.685976 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.192926 | .93670598 |
| 2 | 1s | 24.936818 | .06040733 |
| 3 | 2s | 15.016957 | .02020928 |
| 4 | 3s | 18.371020 | -.01489180 |
| 5 | 4s | 83.026402 | -.00006125 |
| 6 | 5s | 38.966806 | .00068390 |
| 7 | 5s | 9.166512 | .00003486 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090557 | < R2 > | .010980 | < 1/R > | 16.645794 | < 1/R**2 > | 557.449586 |
Total Energy= -362.46107797 a.u.
Kinetic Energy= 362.46212997 a.u.
Potential Energy= -724.92320794 a.u.
Virial Ratio = -1.99999710