(1s 2 2s 2 2p 1 4s 1 ) 1 P S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 4s- electron | |
| 1 | 1s | 12.351785 | .13070922 |
| 2 | 2s | 3.398272 | -1.69057079 |
| 3 | 3s | 3.344465 | 3.77139088 |
| 4 | 4s | 2.899207 | -2.70414060 |
| 5 | 5s | 10.108735 | -.03238427 |
| 6 | 4s | 13.362120 | -.02010190 |
| 7 | 5s | 32.224981 | .00028300 |
| ORB.ENERGY,a.u. | -4.240400 | ||
| NORM | 1.000000 | < R > | 1.956316 | < R2 > | 4.297502 | < 1/R > | .736110 | < 1/R**2 > | 4.252830 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.661150 | 1.08082025 |
| 2 | 3p | 8.229947 | -.09276126 |
| 3 | 2p | 16.306369 | .01253461 |
| 4 | 5p | 20.893027 | .00190019 |
| 5 | 4p | 32.654179 | -.00014235 |
| 6 | 5p | 5.367917 | .00143926 |
| 7 | 5p | 35.807998 | -.00001700 |
| ORB.ENERGY,a.u. | -20.053000 | ||
| NORM | 1.000000 | < R > | .367830 | < R2 > | .163675 | < 1/R > | 3.434076 | < 1/R**2 > | 15.945546 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.673338 | .38347863 |
| 2 | 2s | 6.130739 | -.83353355 |
| 3 | 3s | 8.983969 | -.27827447 |
| 4 | 4s | 25.789825 | .00434261 |
| 5 | 5s | 4.448452 | -.00901825 |
| 6 | 4s | 4.942980 | .02783053 |
| 7 | 2s | 77.605008 | -.00001212 |
| 8 | 3s | 1.305612 | -.00785839 |
| 9 | 5s | 59.920347 | .00009022 |
| 10 | 5s | 1.662453 | .00509443 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .423717 | < R2 > | .210073 | < 1/R > | 3.466825 | < 1/R**2 > | 48.588671 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.195788 | .91426557 |
| 2 | 1s | 21.849437 | .08181501 |
| 3 | 2s | 12.059973 | .01846972 |
| 4 | 3s | 14.608549 | -.01148846 |
| 5 | 4s | 5.033675 | -.00037335 |
| 6 | 5s | 39.394099 | .00092489 |
| 7 | 5s | 2.852042 | .00049069 |
| 8 | 3s | 68.290530 | -.00005132 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096373 | < R2 > | .012440 | < 1/R > | 15.646126 | < 1/R**2 > | 492.687826 |
Total Energy= -320.63320684 a.u.
Kinetic Energy= 320.61558204 a.u.
Potential Energy= -641.24878888 a.u.
Virial Ratio = -2.00005497