(1s 2 2s 2 2p 2 3d 1 ) 2 F Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2332.
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 | 3d- electron | |
| 1 | 3d | 3.724946 | 1.07432482 |
| 2 | 3d | 9.109012 | .01918474 |
| 3 | 4d | 4.545820 | -.07075411 |
| 4 | 5d | 27.317106 | -.00014507 |
| 5 | 5d | 4.102807 | -.01655038 |
| ORB.ENERGY,a.u. | -6.869400 | ||
| NORM | 1.000000 | < R > | .921817 | < R2 > | .976452 | < 1/R > | 1.276046 | < 1/R**2 > | 1.978627 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.760634 | 1.13755168 |
| 2 | 3p | 7.801462 | -.16182429 |
| 3 | 2p | 16.232892 | .02064429 |
| 4 | 4p | 19.406843 | .00577160 |
| 5 | 5p | 29.901045 | -.00100680 |
| 6 | 5p | 5.039263 | -.00039066 |
| 7 | 4p | 91.037898 | .00001481 |
| ORB.ENERGY,a.u. | -20.283000 | ||
| NORM | 1.000000 | < R > | .351680 | < R2 > | .150013 | < 1/R > | 3.602356 | < 1/R**2 > | 17.602224 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.324583 | .42987284 |
| 2 | 2s | 7.486438 | -.86809841 |
| 3 | 3s | 7.566273 | -.28647367 |
| 4 | 4s | 28.400483 | .00203916 |
| 5 | 3s | 15.884905 | .01609090 |
| 6 | 5s | 7.417067 | -.02099286 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .405310 | < R2 > | .192590 | < 1/R > | 3.623507 | < 1/R**2 > | 53.276701 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.060950 | .92144591 |
| 2 | 1s | 24.150515 | .07730277 |
| 3 | 2s | 15.027739 | .01928431 |
| 4 | 3s | 18.606559 | -.01560854 |
| 5 | 5s | 40.516884 | .00084917 |
| 6 | 4s | 97.112646 | -.00003064 |
| 7 | 5s | 12.501920 | .00033680 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090729 | < R2 > | .011031 | < 1/R > | 16.625457 | < 1/R**2 > | 556.390385 |
Total Energy= -388.14161718 a.u.
Kinetic Energy= 388.03162374 a.u.
Potential Energy= -776.17324093 a.u.
Virial Ratio = -2.00028347