(1s 2 2s 2 2p 6 3s 1 5p 1 ) 1 P S 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 2p | 5.297361 | .12144806 |
| 2 | 3p | 1.918523 | -.87126183 |
| 3 | 4p | 1.263060 | 2.87180913 |
| 4 | 5p | 1.135375 | -2.75261376 |
| 5 | 3p | 23.361504 | -.00035672 |
| 6 | 2p | 10.018664 | .02341852 |
| 7 | 4p | 47.375293 | .00004102 |
| ORB.ENERGY,a.u. | -.623830 | ||
| NORM | .999996 | < R > | 5.828017 | < R2 > | 38.258379 | < 1/R > | .246863 | < 1/R**2 > | .241112 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.969425 | -.07163693 |
| 2 | 1s | 7.252440 | .02646733 |
| 3 | 1s | 13.157793 | .12367913 |
| 4 | 2s | 5.430993 | -.46411962 |
| 5 | 3s | 2.545798 | .82328190 |
| 6 | 4s | 3.406242 | .31889759 |
| 7 | 5s | 17.362504 | -.00525552 |
| 8 | 4s | 7.345083 | .01557480 |
| 9 | 3s | 61.653281 | -.00002734 |
| 10 | 2s | .361080 | .00019418 |
| ORB.ENERGY,a.u. | -2.601800 | ||
| NORM | 1.000000 | < R > | 1.435764 | < R2 > | 2.335278 | < 1/R > | .951864 | < 1/R**2 > | 5.348070 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.906531 | .44781088 |
| 2 | 3p | 7.003631 | .48740910 |
| 3 | 5p | 4.808115 | .00912239 |
| 4 | 4p | 5.783579 | .16082321 |
| 5 | 2p | 19.394332 | .00357804 |
| 6 | 5p | 38.223605 | -.00015892 |
| 7 | 3p | 93.469436 | .00000224 |
| 8 | 4p | .664800 | -.00035097 |
| 9 | 5p | .811266 | .00040522 |
| ORB.ENERGY,a.u. | -8.689900 | ||
| NORM | 1.000000 | < R > | .437706 | < R2 > | .237752 | < 1/R > | 2.970579 | < 1/R**2 > | 12.316115 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.943580 | .37055703 |
| 2 | 2s | 6.562725 | -.82492050 |
| 3 | 3s | 5.711505 | -.29973489 |
| 4 | 4s | 25.885657 | .00195899 |
| 5 | 3s | 16.147805 | .00827614 |
| 6 | 2s | 3.449100 | -.01635766 |
| 7 | 4s | 2.306239 | -.00024687 |
| 8 | 5s | 50.515266 | .00003338 |
| ORB.ENERGY,a.u. | -11.103000 | ||
| NORM | 1.000000 | < R > | .473742 | < R2 > | .265928 | < 1/R > | 3.085415 | < 1/R**2 > | 39.180358 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.602241 | 1.00995059 |
| 2 | 2s | 21.956897 | -.01867726 |
| 3 | 3s | 12.519106 | .01837493 |
| 4 | 3s | 73.611700 | -.00010551 |
| 5 | 4s | 10.009816 | .00183013 |
| 6 | 4s | 54.399215 | -.00036098 |
| 7 | 5s | 13.787785 | -.00440998 |
| 8 | 2s | 121.583713 | -.00000429 |
| 9 | 3s | 2.632060 | .00008502 |
| 10 | 5s | 3.460117 | -.00008410 |
| ORB.ENERGY,a.u. | -93.690000 |
| NORM | 1.000000 | < R > | .097126 | < R2 > | .012679 | < 1/R > | 15.569063 | < 1/R**2 > | 488.935675 |
Total Energy= -391.40569223 a.u.
Kinetic Energy= 391.39810720 a.u.
Potential Energy= -782.80379943 a.u.
Virial Ratio = -2.00001938