(1s 2 2s 2 2p 2 4d 1 ) 2 F Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2342.
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 | 4d- electron | |
| 1 | 3d | 3.136554 | 1.37524626 |
| 2 | 4d | 2.744583 | -1.88841598 |
| 3 | 3d | 6.828131 | .04108366 |
| 4 | 4d | 21.732631 | .00014517 |
| 5 | 5d | 2.415086 | .00761910 |
| 6 | 5d | 9.951647 | -.00990853 |
| 7 | 3d | 26.301183 | .00008572 |
| ORB.ENERGY,a.u. | -3.852400 | ||
| NORM | 1.000000 | < R > | 1.864607 | < R2 > | 3.984361 | < 1/R > | .711959 | < 1/R**2 > | .832467 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.767150 | 1.10142271 |
| 2 | 3p | 7.757000 | -.13422415 |
| 3 | 2p | 15.057110 | .02946688 |
| 4 | 4p | 16.638658 | .00699940 |
| 5 | 5p | 37.995856 | -.00021495 |
| 6 | 5p | 3.468927 | .00028390 |
| ORB.ENERGY,a.u. | -20.975000 | ||
| NORM | 1.000000 | < R > | .351607 | < R2 > | .149944 | < 1/R > | 3.602828 | < 1/R**2 > | 17.605537 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.324064 | .43084939 |
| 2 | 2s | 7.491146 | -.86879318 |
| 3 | 3s | 7.615706 | -.28626775 |
| 4 | 4s | 28.670274 | .00198795 |
| 5 | 3s | 15.725499 | .01693844 |
| 6 | 5s | 7.690854 | -.02053484 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404317 | < R2 > | .191519 | < 1/R > | 3.631811 | < 1/R**2 > | 53.496888 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.060950 | .92144522 |
| 2 | 1s | 24.150256 | .07730354 |
| 3 | 2s | 15.027875 | .01928406 |
| 4 | 3s | 18.603986 | -.01560966 |
| 5 | 5s | 40.484119 | .00084946 |
| 6 | 4s | 97.199323 | -.00003100 |
| 7 | 5s | 12.577006 | .00032974 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090728 | < R2 > | .011030 | < 1/R > | 16.625453 | < 1/R**2 > | 556.389550 |
Total Energy= -385.05844750 a.u.
Kinetic Energy= 385.01466180 a.u.
Potential Energy= -770.07310930 a.u.
Virial Ratio = -2.00011372