(1s 2 2s 2 2p 6 3s 1 3p 1 ) 1 P S 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p- electron | |
| 1 | 2p | 4.824663 | .34556626 |
| 2 | 2p | 1.806413 | -.40902295 |
| 3 | 3p | 2.135479 | -.69101813 |
| 4 | 2p | 9.264468 | .08215141 |
| 5 | 3p | 13.046253 | -.00277934 |
| 6 | 4p | 28.605753 | -.00044286 |
| 7 | 5p | 84.325468 | -.00001299 |
| ORB.ENERGY,a.u. | -2.008400 | ||
| NORM | 1.000000 | < R > | 1.643494 | < R2 > | 3.111094 | < 1/R > | .814154 | < 1/R**2 > | 1.472626 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.441402 | -.04043119 |
| 2 | 1s | 1.682434 | .06879359 |
| 3 | 1s | 13.063888 | .12683408 |
| 4 | 2s | 5.420193 | -.47605316 |
| 5 | 3s | 2.377875 | .83893923 |
| 6 | 4s | 3.589895 | .24459904 |
| 7 | 5s | 16.993323 | -.00590179 |
| 8 | 4s | 38.075160 | .00016394 |
| 9 | 3s | 88.667379 | .00000742 |
| ORB.ENERGY,a.u. | -2.601800 | ||
| NORM | 1.000000 | < R > | 1.480195 | < R2 > | 2.494343 | < 1/R > | .925592 | < 1/R**2 > | 5.095508 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.913798 | .44422730 |
| 2 | 3p | 6.999714 | .49060021 |
| 3 | 5p | 4.668049 | .00921944 |
| 4 | 4p | 5.748657 | .16087269 |
| 5 | 2p | 19.584309 | .00374947 |
| 6 | 5p | 38.105776 | -.00014036 |
| 7 | 3p | 14.352551 | .00103873 |
| 8 | 4p | 2.419765 | .00092233 |
| 9 | 3p | 77.620796 | .00000111 |
| ORB.ENERGY,a.u. | -8.689900 | ||
| NORM | 1.000000 | < R > | .438795 | < R2 > | .239188 | < 1/R > | 2.965474 | < 1/R**2 > | 12.280750 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.937833 | .36994670 |
| 2 | 2s | 6.554638 | -.82840006 |
| 3 | 3s | 5.683026 | -.30069759 |
| 4 | 4s | 26.407473 | .00204794 |
| 5 | 3s | 15.690063 | .00876081 |
| 6 | 2s | 2.747775 | -.01442028 |
| 7 | 4s | .936666 | -.00402475 |
| 8 | 5s | 62.376783 | .00001890 |
| 9 | 5s | 1.130354 | .00343609 |
| 10 | 3s | .556088 | .00043658 |
| ORB.ENERGY,a.u. | -11.103000 | ||
| NORM | 1.000000 | < R > | .475110 | < R2 > | .267781 | < 1/R > | 3.077903 | < 1/R**2 > | 39.011706 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.601177 | 1.00999069 |
| 2 | 2s | 21.934844 | -.01872423 |
| 3 | 3s | 12.482660 | .01854324 |
| 4 | 3s | 64.732068 | -.00010208 |
| 5 | 4s | 10.019800 | .00190089 |
| 6 | 4s | 52.294611 | -.00030924 |
| 7 | 5s | 13.771934 | -.00457023 |
| 8 | 2s | 66.022528 | -.00002220 |
| 9 | 3s | 49.993542 | -.00006460 |
| 10 | 5s | 3.436224 | -.00010152 |
| ORB.ENERGY,a.u. | -93.690000 |
| NORM | 1.000000 | < R > | .097137 | < R2 > | .012682 | < 1/R > | 15.567958 | < 1/R**2 > | 488.882050 |
Total Energy= -392.97504337 a.u.
Kinetic Energy= 392.78281910 a.u.
Potential Energy= -785.75786247 a.u.
Virial Ratio = -2.00048939