(1s 2 2s 2 2p 1 4p 1 ) 1 D F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 2.429390 | .27645001 |
| 2 | 3p | 1.252188 | -1.80692287 |
| 3 | 4p | 1.086816 | 2.10001531 |
| 4 | 5p | 2.943735 | .03194439 |
| 5 | 2p | 9.282860 | .00311940 |
| 6 | 4p | 5.153337 | -.02562080 |
| ORB.ENERGY,a.u. | -.580660 | ||
| NORM | 1.000003 | < R > | 4.936890 | < R2 > | 27.454920 | < 1/R > | .257630 | < 1/R**2 > | .123329 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.571742 | .91724570 |
| 2 | 3p | 1.609781 | -.08652548 |
| 3 | 2p | 11.869284 | .00729915 |
| 4 | 5p | 7.909083 | -.01142712 |
| 5 | 5p | 1.166638 | .10964895 |
| 6 | 4p | 3.485997 | .15997375 |
| 7 | 3p | 13.998681 | .00138035 |
| ORB.ENERGY,a.u. | -3.912400 | ||
| NORM | 1.000000 | < R > | .774360 | < R2 > | .873849 | < 1/R > | 1.694418 | < 1/R**2 > | 3.929649 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.069149 | .30833364 |
| 2 | 2s | 2.908921 | -.78682593 |
| 3 | 3s | 4.663342 | -.27151785 |
| 4 | 4s | 15.562936 | .00299228 |
| 5 | 5s | 9.295348 | -.01487188 |
| 6 | 5s | 3.288847 | .02076082 |
| 7 | 4s | 28.468223 | .00011809 |
| 8 | 3s | .789385 | .00024344 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .844622 | < R2 > | .838820 | < 1/R > | 1.708947 | < 1/R**2 > | 11.835258 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.468516 | .00129556 |
| 2 | 1s | 8.052653 | .85099371 |
| 3 | 1s | 12.611476 | .14437549 |
| 4 | 2s | 11.011857 | .02092145 |
| 5 | 3s | 9.845531 | -.01579080 |
| 6 | 4s | 15.802494 | .00482125 |
| 7 | 5s | 29.003019 | .00026180 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174852 | < R2 > | .041077 | < 1/R > | 8.656745 | < 1/R**2 > | 151.530706 |
Total Energy= -92.71412367 a.u.
Kinetic Energy= 92.70735675 a.u.
Potential Energy= -185.42148041 a.u.
Virial Ratio = -2.00007299