(1s 2 2s 2 2p 4 5p 1 ) 2 D F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 5p- electron | |
| 1 | 2p | 1.856421 | .02991984 |
| 2 | 3p | .579973 | -.43457438 |
| 3 | 4p | .304880 | 1.71753799 |
| 4 | 5p | .241720 | -1.84186686 |
| 5 | 2p | 4.406256 | .01678849 |
| 6 | 5p | 5.247095 | .00228752 |
| 7 | 5p | .551451 | -.15316245 |
| 8 | 3p | 8.746580 | -.00064534 |
| ORB.ENERGY,a.u. | -.027948 | ||
| NORM | .999993 | < R > | 25.935541 | < R2 > | 758.431861 | < 1/R > | .053286 | < 1/R**2 > | .009154 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.787824 | .66741576 |
| 2 | 2p | 6.016680 | .12221715 |
| 3 | 3p | 2.136094 | .25268888 |
| 4 | 4p | 6.342900 | .04813353 |
| 5 | 5p | 11.612268 | .00278251 |
| 6 | 5p | .180344 | -.00528244 |
| 7 | 4p | 1.735638 | .00307060 |
| 8 | 3p | .116626 | .00436340 |
| ORB.ENERGY,a.u. | -1.147100 | ||
| NORM | 1.000000 | < R > | .969853 | < R2 > | 1.196478 | < 1/R > | 1.377833 | < 1/R**2 > | 2.732120 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.492758 | .30235382 |
| 2 | 2s | 3.280120 | -.83683635 |
| 3 | 3s | 2.605900 | -.31900290 |
| 4 | 4s | 4.805716 | .03011024 |
| 5 | 3s | 8.736743 | .02659404 |
| 6 | 5s | 19.303624 | .00071957 |
| 7 | 5s | 2.251946 | -.00499489 |
| 8 | 2s | 50.092447 | .00000760 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .961006 | < R2 > | 1.108832 | < 1/R > | 1.503225 | < 1/R**2 > | 9.294841 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.230966 | .87187006 |
| 2 | 1s | 12.227497 | .12124519 |
| 3 | 1s | 10.014394 | .00272147 |
| 4 | 2s | 5.992657 | .01820853 |
| 5 | 3s | 8.171588 | -.00761404 |
| 6 | 4s | 17.153212 | .00292009 |
| 7 | 5s | 51.317759 | -.00004235 |
| 8 | 5s | 4.167900 | .00044004 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632429 | < 1/R**2 > | 150.886707 |
Total Energy= -98.85976753 a.u.
Kinetic Energy= 98.85966457 a.u.
Potential Energy= -197.71943210 a.u.
Virial Ratio = -2.00000104