(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 2 D P 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 | 4p | .530508 | .66285515 |
| 2 | 5p | .311703 | -1.16368690 |
| 3 | 3p | 2.040761 | -.05958321 |
| 4 | 2p | 8.740679 | .00493715 |
| 5 | 2p | 4.185117 | .01516939 |
| 6 | 5p | 1.676249 | -.05305679 |
| 7 | 4p | 9.786160 | .00095178 |
| 8 | 3p | .634162 | .03044428 |
| ORB.ENERGY,a.u. | -.166780 | ||
| NORM | 1.000001 | < R > | 18.214977 | < R2 > | 372.142641 | < 1/R > | .068700 | < 1/R**2 > | .009784 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.973496 | .28231126 |
| 2 | 2p | 1.217089 | -.87168321 |
| 3 | 3p | 1.902959 | -.21658928 |
| 4 | 2p | 7.886487 | .08904498 |
| 5 | 3p | .449538 | .01979910 |
| 6 | 4p | .269318 | -.02488120 |
| 7 | 4p | 13.696339 | -.00216198 |
| 8 | 5p | 31.887984 | -.00010714 |
| 9 | 2p | 23.264626 | .00041170 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.129487 | < R2 > | 5.381328 | < 1/R > | .619934 | < 1/R**2 > | .846652 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.353521 | -.17721254 |
| 2 | 1s | 10.701753 | .17030143 |
| 3 | 1s | 41.178127 | .00023370 |
| 4 | 2s | 4.747071 | -.24276598 |
| 5 | 3s | 1.913297 | .83930846 |
| 6 | 4s | 3.412508 | .19447698 |
| 7 | 3s | 29.277524 | -.00058199 |
| 8 | 5s | 1.728296 | .06455583 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.848194 | < R2 > | 3.936301 | < 1/R > | .724879 | < 1/R**2 > | 2.968416 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372639 | .42809496 |
| 2 | 3p | 6.500487 | .49501401 |
| 3 | 2p | 20.147669 | .00249404 |
| 4 | 4p | 5.240128 | .18070322 |
| 5 | 5p | 4.032362 | .01287104 |
| 6 | 3p | 38.527669 | .00006485 |
| 7 | 4p | 82.502279 | -.00000233 |
| 8 | 3p | 1.597728 | .00090376 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483361 | < R2 > | .291774 | < 1/R > | 2.706586 | < 1/R**2 > | 10.286347 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194456 | .35988219 |
| 2 | 2s | 5.437883 | -.77667011 |
| 3 | 3s | 4.856554 | -.17147014 |
| 4 | 4s | 23.621349 | .00226546 |
| 5 | 2s | 6.760268 | -.17609700 |
| 6 | 3s | 15.374613 | .00817267 |
| 7 | 5s | 4.029924 | -.00309179 |
| 8 | 4s | 1.919606 | -.00025020 |
| 9 | 5s | 47.909697 | .00005521 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515322 | < R2 > | .315448 | < 1/R > | 2.833449 | < 1/R**2 > | 33.094162 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.404405 | -.00021485 |
| 2 | 1s | 14.570410 | 1.01425843 |
| 3 | 2s | 21.105375 | -.02188133 |
| 4 | 3s | 11.321538 | .01689845 |
| 5 | 4s | 20.110220 | -.00094968 |
| 6 | 5s | 17.686162 | .00342829 |
| 7 | 5s | 62.485852 | -.00003186 |
| 8 | 4s | 12.074660 | -.00660203 |
| 9 | 2s | 54.222445 | .00013071 |
| 10 | 3s | 7.509743 | .00141297 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573863 | < 1/R**2 > | 428.620360 |
Total Energy= -340.38993431 a.u.
Kinetic Energy= 340.38887709 a.u.
Potential Energy= -680.77881140 a.u.
Virial Ratio = -2.00000311