(1s 2 2s 2 2p 5 4p 1 ) 3 D Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | 4p- electron | |
| 1 | 2p | 8.144621 | .19307597 |
| 2 | 3p | 1.583678 | 2.45873241 |
| 3 | 4p | 3.325508 | -1.43688237 |
| 4 | 5p | 5.946185 | -.16435845 |
| 5 | 3p | 16.116092 | -.00347231 |
| 6 | 5p | 1.782406 | -.69404353 |
| 7 | 4p | 29.511169 | .00033509 |
| 8 | 4p | 1.427942 | .03392170 |
| 9 | 5p | 41.693964 | -.00014776 |
| ORB.ENERGY,a.u. | -2.370600 | ||
| NORM | 1.000000 | < R > | 2.425991 | < R2 > | 6.656994 | < 1/R > | .582458 | < 1/R**2 > | .999184 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.873307 | 1.18776591 |
| 2 | 3p | 6.919930 | -.25502844 |
| 3 | 2p | 13.114443 | .06558922 |
| 4 | 4p | 15.873108 | .01050332 |
| 5 | 5p | 2.583832 | -.00069702 |
| 6 | 4p | 3.539493 | .00097835 |
| 7 | 4p | 68.113806 | .00002042 |
| ORB.ENERGY,a.u. | -14.114000 | ||
| NORM | 1.000000 | < R > | .387313 | < R2 > | .184369 | < 1/R > | 3.321808 | < 1/R**2 > | 15.229213 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.589090 | .39233130 |
| 2 | 2s | 7.174740 | -.84129217 |
| 3 | 3s | 6.547422 | -.30378348 |
| 4 | 4s | 12.252033 | .00150834 |
| 5 | 3s | 16.973786 | .01118380 |
| 6 | 5s | 35.850055 | .00073948 |
| 7 | 5s | 6.553728 | -.00830947 |
| 8 | 4s | 2.312827 | .00018330 |
| 9 | 3s | 67.082771 | -.00003317 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429738 | < R2 > | .217745 | < 1/R > | 3.406090 | < 1/R**2 > | 47.527879 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.183079 | .92715527 |
| 2 | 1s | 23.741027 | .06866402 |
| 3 | 2s | 10.159271 | .02130080 |
| 4 | 3s | 12.546403 | -.02162910 |
| 5 | 4s | 15.515579 | .01069716 |
| 6 | 5s | 40.682029 | .00066579 |
| 7 | 4s | 89.850237 | -.00003814 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091158 | < R2 > | .011159 | < 1/R > | 16.575460 | < 1/R**2 > | 553.797602 |
Total Energy= -434.36512034 a.u.
Kinetic Energy= 434.37454613 a.u.
Potential Energy= -868.73966648 a.u.
Virial Ratio = -1.99997830