(1s 2 2s 2 2p 1 5d 1 ) 3 F Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | 5d- electron | |
| 1 | 3d | 3.123661 | 1.49564117 |
| 2 | 4d | 2.563617 | -4.44751362 |
| 3 | 5d | 2.403071 | 3.73235470 |
| 4 | 3d | 8.361191 | .01855979 |
| 5 | 5d | 5.026683 | -.03897597 |
| 6 | 5d | 2.107033 | -.04982571 |
| 7 | 4d | 23.147974 | -.00040797 |
| 8 | 5d | 36.093562 | .00008467 |
| 9 | 3d | 8.217575 | .00490281 |
| ORB.ENERGY,a.u. | -2.950700 | ||
| NORM | 1.000002 | < R > | 2.801564 | < R2 > | 8.905562 | < 1/R > | .496018 | < 1/R**2 > | .508403 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.133076 | 1.08644946 |
| 2 | 3p | 8.651403 | -.09796934 |
| 3 | 2p | 17.680294 | .01148698 |
| 4 | 5p | 21.924060 | .00229292 |
| 5 | 5p | 2.821777 | .00090387 |
| 6 | 4p | 2.897188 | -.00108475 |
| ORB.ENERGY,a.u. | -23.621000 | ||
| NORM | 1.000000 | < R > | .342287 | < R2 > | .141624 | < 1/R > | 3.687174 | < 1/R**2 > | 18.362769 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.556933 | .38561366 |
| 2 | 2s | 6.582058 | -.81504513 |
| 3 | 3s | 9.406279 | -.28571501 |
| 4 | 4s | 31.576336 | .00121764 |
| 5 | 5s | 18.387893 | -.00898323 |
| 6 | 5s | 7.312030 | .01733954 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396101 | < R2 > | .183483 | < 1/R > | 3.712310 | < 1/R**2 > | 55.692109 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.194245 | .93683361 |
| 2 | 1s | 24.930580 | .06033240 |
| 3 | 2s | 14.981542 | .02016670 |
| 4 | 3s | 18.314332 | -.01491765 |
| 5 | 4s | 82.256494 | -.00006294 |
| 6 | 5s | 39.074141 | .00066454 |
| 7 | 5s | 9.956923 | .00005093 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090550 | < R2 > | .010978 | < 1/R > | 16.646727 | < 1/R**2 > | 557.499962 |
Total Energy= -362.35992401 a.u.
Kinetic Energy= 362.37275633 a.u.
Potential Energy= -724.73268034 a.u.
Virial Ratio = -1.99996459