(1s 2 2s 2 2p 6 3s 2 3p 1 5s 1 ) 1 P S 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1150.
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 | 5s- electron | |
| 1 | 1s | 7.207915 | .07154258 |
| 2 | 2s | 7.836582 | -.11641841 |
| 3 | 3s | 2.498595 | .24924005 |
| 4 | 4s | 1.223366 | -1.59589646 |
| 5 | 5s | .831952 | 1.45668201 |
| 6 | 4s | 7.193860 | -.05186219 |
| 7 | 5s | 27.503240 | .00015168 |
| 8 | 3s | 1.171885 | .55920245 |
| 9 | 2s | 21.129230 | -.00054025 |
| 10 | 2s | .425026 | -.01134540 |
| ORB.ENERGY,a.u. | -.312620 | ||
| NORM | 1.000000 | < R > | 7.277434 | < R2 > | 59.118782 | < 1/R > | .183287 | < 1/R**2 > | .283672 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.663405 | .31958533 |
| 2 | 2p | 1.600625 | -.40813750 |
| 3 | 3p | 2.187926 | -.68251477 |
| 4 | 2p | 9.020614 | .09036564 |
| 5 | 3p | 14.374653 | -.00328912 |
| 6 | 4p | .376410 | -.00889677 |
| 7 | 4p | 32.045722 | -.00013511 |
| 8 | 5p | .436219 | .00822012 |
| ORB.ENERGY,a.u. | -1.255200 | ||
| NORM | 1.000000 | < R > | 1.678457 | < R2 > | 3.244157 | < 1/R > | .792442 | < 1/R**2 > | 1.384867 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.496158 | 2.17408209 |
| 2 | 1s | 17.369049 | .02316627 |
| 3 | 2s | 5.739077 | -1.21412826 |
| 4 | 3s | 1.274049 | -.15316953 |
| 5 | 4s | 4.715760 | -.49643283 |
| 6 | 5s | 7.626009 | -.13657285 |
| 7 | 4s | 1.182712 | .05841347 |
| 8 | 3s | 54.878548 | -.00008502 |
| 9 | 5s | .664017 | .03345814 |
| 10 | 4s | 92.198314 | .00002158 |
| 11 | 4s | .585466 | -.03683211 |
| ORB.ENERGY,a.u. | -1.708600 | ||
| NORM | .999999 | < R > | 1.540084 | < R2 > | 2.704728 | < 1/R > | .878626 | < 1/R**2 > | 4.473726 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 19.515695 | .00326595 |
| 2 | 2p | 8.914687 | .44642012 |
| 3 | 3p | 6.902462 | .50711089 |
| 4 | 5p | 3.915998 | .00490374 |
| 5 | 4p | 5.530257 | .14864014 |
| 6 | 5p | 30.054026 | -.00020841 |
| 7 | 4p | 34.169534 | -.00017400 |
| 8 | 3p | 1.455374 | .00011116 |
| ORB.ENERGY,a.u. | -7.544900 | ||
| NORM | 1.000000 | < R > | .440061 | < R2 > | .240810 | < 1/R > | 2.959255 | < 1/R**2 > | 12.236687 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.010191 | .36730210 |
| 2 | 2s | 6.305739 | -.76620347 |
| 3 | 3s | 5.329875 | -.16174807 |
| 4 | 4s | 23.753408 | .00246972 |
| 5 | 2s | 5.336283 | -.19451356 |
| 6 | 3s | 17.754384 | .00547950 |
| 7 | 4s | 3.740198 | -.00183031 |
| 8 | 5s | 45.757681 | .00011870 |
| 9 | 5s | .567366 | -.00006161 |
| ORB.ENERGY,a.u. | -9.849800 | ||
| NORM | 1.000000 | < R > | .474346 | < R2 > | .266695 | < 1/R > | 3.081824 | < 1/R**2 > | 39.098966 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554908 | 1.01449989 |
| 2 | 2s | 20.545490 | -.02542272 |
| 3 | 3s | 12.089950 | .02045573 |
| 4 | 4s | 16.288526 | -.00018707 |
| 5 | 4s | 31.388389 | .00163449 |
| 6 | 2s | 66.911778 | .00001847 |
| 7 | 5s | 14.505949 | -.00547456 |
| 8 | 3s | 6.532467 | .00045901 |
| 9 | 4s | 4.352382 | -.00002172 |
| ORB.ENERGY,a.u. | -92.338000 |
| NORM | 1.000000 | < R > | .097135 | < R2 > | .012682 | < 1/R > | 15.568059 | < 1/R**2 > | 488.884087 |
Total Energy= -395.39309540 a.u.
Kinetic Energy= 395.38943714 a.u.
Potential Energy= -790.78253253 a.u.
Virial Ratio = -2.00000925