(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 1 P S 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | .538595 | .47211195 |
| 2 | 5p | 1.301993 | .74913236 |
| 3 | 4p | 2.554214 | -.42145180 |
| 4 | 2p | 7.105449 | .10644273 |
| 5 | 5p | 4.763494 | -.09694976 |
| 6 | 3p | 10.654492 | -.00800163 |
| 7 | 3p | .385565 | -.24318620 |
| 8 | 4p | 31.760504 | -.00010810 |
| 9 | 5p | .470700 | .12394675 |
| ORB.ENERGY,a.u. | -.503070 | ||
| NORM | 1.000000 | < R > | 4.345757 | < R2 > | 21.076250 | < 1/R > | .297392 | < 1/R**2 > | .250156 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.580193 | .33150594 |
| 2 | 2p | 1.592750 | -.48677650 |
| 3 | 3p | 2.215238 | -.61617154 |
| 4 | 2p | 8.940409 | .09488292 |
| 5 | 3p | 14.120103 | -.00363845 |
| 6 | 4p | .756600 | .02352892 |
| 7 | 4p | 32.102335 | -.00014183 |
| 8 | 5p | .855496 | -.02015598 |
| ORB.ENERGY,a.u. | -1.255200 | ||
| NORM | 1.000000 | < R > | 1.673380 | < R2 > | 3.224862 | < 1/R > | .795798 | < 1/R**2 > | 1.398632 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 6.967581 | -.11025073 |
| 2 | 1s | 11.478988 | .19567197 |
| 3 | 1s | 55.509610 | .00011132 |
| 4 | 2s | 5.201761 | -.40115669 |
| 5 | 3s | 2.317319 | .93501399 |
| 6 | 4s | 3.798510 | .15326425 |
| 7 | 3s | 33.556441 | -.00062221 |
| 8 | 5s | 1.947107 | .01626093 |
| ORB.ENERGY,a.u. | -1.708600 | ||
| NORM | 1.000000 | < R > | 1.546435 | < R2 > | 2.728445 | < 1/R > | .874843 | < 1/R**2 > | 4.432877 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 19.700836 | .00313082 |
| 2 | 2p | 8.917382 | .44642044 |
| 3 | 3p | 6.903073 | .50751382 |
| 4 | 5p | 3.874075 | .00509293 |
| 5 | 4p | 5.530001 | .14905954 |
| 6 | 5p | 19.600158 | -.00014022 |
| 7 | 4p | 28.661570 | -.00036755 |
| 8 | 3p | 6.057234 | -.00048993 |
| 9 | 4p | .827680 | -.00012388 |
| ORB.ENERGY,a.u. | -7.544900 | ||
| NORM | 1.000000 | < R > | .440163 | < R2 > | .240944 | < 1/R > | 2.958775 | < 1/R**2 > | 12.233381 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.010318 | .36719111 |
| 2 | 2s | 6.304405 | -.76613849 |
| 3 | 3s | 5.325616 | -.16179124 |
| 4 | 4s | 23.935410 | .00245125 |
| 5 | 2s | 5.338163 | -.19446885 |
| 6 | 3s | 17.638076 | .00553112 |
| 7 | 4s | 3.780249 | -.00198914 |
| 8 | 5s | 46.536134 | .00010984 |
| 9 | 5s | 1.464101 | .00003534 |
| ORB.ENERGY,a.u. | -9.849800 | ||
| NORM | 1.000000 | < R > | .474486 | < R2 > | .266869 | < 1/R > | 3.080938 | < 1/R**2 > | 39.078222 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554794 | 1.01450166 |
| 2 | 2s | 20.546672 | -.02542377 |
| 3 | 3s | 12.084865 | .02046675 |
| 4 | 4s | 16.203443 | -.00018796 |
| 5 | 4s | 31.362495 | .00163363 |
| 6 | 2s | 67.371143 | .00001812 |
| 7 | 5s | 14.495206 | -.00548050 |
| 8 | 3s | 6.557467 | .00045622 |
| 9 | 4s | 4.089108 | -.00001934 |
| ORB.ENERGY,a.u. | -92.338000 |
| NORM | 1.000000 | < R > | .097137 | < R2 > | .012682 | < 1/R > | 15.567891 | < 1/R**2 > | 488.876030 |
Total Energy= -395.55937466 a.u.
Kinetic Energy= 395.58020680 a.u.
Potential Energy= -791.13958146 a.u.
Virial Ratio = -1.99994734