(1s 2 2s 2 2p 6 3s 2 3p 2 4p 1 ) 2 D P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 8.801334 | -.23383664 |
| 2 | 3p | 2.317442 | -.00316330 |
| 3 | 5p | .900781 | .23734415 |
| 4 | 4p | .432477 | 1.96483923 |
| 5 | 2p | 7.061329 | .40952040 |
| 6 | 3p | 7.894281 | -.18415818 |
| 7 | 5p | .476045 | -.85741514 |
| 8 | 3p | .623543 | -.43387658 |
| 9 | 5p | 13.704535 | .00095007 |
| ORB.ENERGY,a.u. | -.203070 | ||
| NORM | 1.000001 | < R > | 10.037289 | < R2 > | 111.146977 | < 1/R > | .110658 | < 1/R**2 > | .014193 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.064670 | .26680100 |
| 2 | 2p | 1.132977 | -.83150974 |
| 3 | 3p | 1.952229 | -.29637795 |
| 4 | 2p | 7.957670 | .08553042 |
| 5 | 3p | .599998 | .27457964 |
| 6 | 4p | .717977 | -.21188686 |
| 7 | 4p | 13.726274 | -.00186542 |
| 8 | 5p | 31.533781 | -.00010455 |
| 9 | 2p | 23.041526 | .00041762 |
| 10 | 5p | .409545 | .00568668 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.124416 | < R2 > | 5.270460 | < 1/R > | .620192 | < 1/R**2 > | .847023 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 2s | 4.733671 | -.24420279 |
| 2 | 3s | 1.912974 | .84230792 |
| 3 | 4s | 3.421670 | .19299237 |
| 4 | 3s | 29.344915 | -.00055111 |
| 5 | 5s | 1.723341 | .06332439 |
| 6 | 1s | 4.382962 | -.17693408 |
| 7 | 1s | 10.694756 | .17078605 |
| 8 | 1s | 39.935859 | .00025575 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.848086 | < R2 > | 3.935743 | < 1/R > | .724908 | < 1/R**2 > | 2.968575 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372582 | .42810435 |
| 2 | 3p | 6.500486 | .49500514 |
| 3 | 2p | 20.147658 | .00249415 |
| 4 | 4p | 5.240214 | .18069857 |
| 5 | 5p | 4.032619 | .01286977 |
| 6 | 3p | 38.499419 | .00006499 |
| 7 | 4p | 82.141328 | -.00000233 |
| 8 | 3p | 1.598785 | .00090470 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483357 | < R2 > | .291768 | < 1/R > | 2.706603 | < 1/R**2 > | 10.286456 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194497 | .35988213 |
| 2 | 2s | 5.437892 | -.77666925 |
| 3 | 3s | 4.856653 | -.17146838 |
| 4 | 4s | 23.624784 | .00226619 |
| 5 | 2s | 6.760241 | -.17609734 |
| 6 | 3s | 15.374663 | .00817266 |
| 7 | 5s | 4.030231 | -.00309042 |
| 8 | 4s | 1.917264 | -.00025109 |
| 9 | 5s | 48.034706 | .00005487 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515319 | < R2 > | .315444 | < 1/R > | 2.833463 | < 1/R**2 > | 33.094445 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.408267 | -.00021518 |
| 2 | 1s | 14.570410 | 1.01425861 |
| 3 | 2s | 21.105391 | -.02188135 |
| 4 | 3s | 11.321538 | .01689845 |
| 5 | 4s | 20.110884 | -.00094966 |
| 6 | 5s | 17.686361 | .00342823 |
| 7 | 5s | 62.477591 | -.00003186 |
| 8 | 4s | 12.074640 | -.00660204 |
| 9 | 2s | 54.222208 | .00013072 |
| 10 | 3s | 7.509692 | .00141299 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573866 | < 1/R**2 > | 428.620494 |
Total Energy= -340.42584132 a.u.
Kinetic Energy= 340.39433996 a.u.
Potential Energy= -680.82018129 a.u.
Virial Ratio = -2.00009254