(1s 2 2s 2 2p 2 5d 1 ) 2 D Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 2.682360 | 1.84103825 |
| 2 | 4d | 2.324221 | -5.03752552 |
| 3 | 5d | 2.184764 | 3.92049828 |
| 4 | 3d | 9.549268 | .01141612 |
| 5 | 5d | 5.112095 | -.01845398 |
| 6 | 4d | 25.770003 | -.00032668 |
| 7 | 5d | 1.611379 | -.00722271 |
| 8 | 5d | 37.678729 | .00010373 |
| ORB.ENERGY,a.u. | -2.439700 | ||
| NORM | 1.000001 | < R > | 3.103830 | < R2 > | 10.944505 | < 1/R > | .449471 | < 1/R**2 > | .417034 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.731134 | 1.14001007 |
| 2 | 3p | 7.836577 | -.16314217 |
| 3 | 2p | 15.769073 | .02351343 |
| 4 | 4p | 17.857936 | .00681757 |
| 5 | 5p | 28.934954 | -.00051405 |
| 6 | 5p | 7.884511 | -.00732765 |
| 7 | 4p | 75.882298 | .00001981 |
| ORB.ENERGY,a.u. | -21.254000 | ||
| NORM | 1.000000 | < R > | .351398 | < R2 > | .149738 | < 1/R > | 3.604416 | < 1/R**2 > | 17.618741 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.332971 | .43071776 |
| 2 | 2s | 7.485558 | -.86878931 |
| 3 | 3s | 7.640557 | -.28604353 |
| 4 | 4s | 28.804670 | .00201425 |
| 5 | 3s | 15.628033 | .01707309 |
| 6 | 5s | 7.684234 | -.02029000 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404039 | < R2 > | .191232 | < 1/R > | 3.634352 | < 1/R**2 > | 53.566351 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.060950 | .92144429 |
| 2 | 1s | 24.149966 | .07730438 |
| 3 | 2s | 15.027470 | .01928491 |
| 4 | 3s | 18.604092 | -.01560990 |
| 5 | 5s | 40.459753 | .00085026 |
| 6 | 4s | 97.288149 | -.00003130 |
| 7 | 5s | 12.586007 | .00032535 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090729 | < R2 > | .011030 | < 1/R > | 16.625431 | < 1/R**2 > | 556.388115 |
Total Energy= -383.64213610 a.u.
Kinetic Energy= 383.60220887 a.u.
Potential Energy= -767.24434497 a.u.
Virial Ratio = -2.00010408