(1s 2 2s 2 2p 5 4p 1 ) 1 P S 6+
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 | 7.553394 | .18185979 |
| 2 | 3p | 1.467498 | 2.15875464 |
| 3 | 4p | 2.952856 | -1.42347369 |
| 4 | 5p | 5.339125 | -.16348743 |
| 5 | 3p | 13.698492 | -.00559174 |
| 6 | 5p | 1.533583 | -.43210304 |
| 7 | 4p | 19.690911 | .00083604 |
| 8 | 3p | .907483 | .11970168 |
| 9 | 4p | .869667 | -.03025501 |
| 10 | 3p | 38.376440 | .00003633 |
| ORB.ENERGY,a.u. | -1.829900 | ||
| NORM | 1.000000 | < R > | 2.747386 | < R2 > | 8.535948 | < 1/R > | .511525 | < 1/R**2 > | .770911 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.365473 | 1.20624412 |
| 2 | 3p | 6.329997 | -.27872733 |
| 3 | 2p | 12.121979 | .07150207 |
| 4 | 5p | 38.089397 | -.00013256 |
| 5 | 4p | 14.551612 | .01081793 |
| 6 | 5p | 3.189896 | .00036938 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .420199 | < R2 > | .217495 | < 1/R > | 3.069871 | < 1/R**2 > | 13.045976 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.876727 | .38216935 |
| 2 | 2s | 6.648169 | -.83833110 |
| 3 | 3s | 5.950071 | -.30421411 |
| 4 | 4s | 18.550720 | .00337582 |
| 5 | 3s | 18.224379 | .00716118 |
| 6 | 5s | 35.101840 | .00052651 |
| 7 | 5s | 4.921360 | -.00819669 |
| 8 | 4s | 4.058976 | .00643464 |
| 9 | 3s | 56.210595 | -.00003224 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462912 | < R2 > | .252964 | < 1/R > | 3.157811 | < 1/R**2 > | 40.891977 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.177929 | .92276418 |
| 2 | 1s | 22.252152 | .07349882 |
| 3 | 2s | 9.351088 | .02084329 |
| 4 | 3s | 11.601435 | -.02142753 |
| 5 | 4s | 14.407783 | .01071242 |
| 6 | 5s | 38.332270 | .00073930 |
| 7 | 4s | 86.754518 | -.00003639 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097019 | < R2 > | .012644 | < 1/R > | 15.579753 | < 1/R**2 > | 489.453905 |
Total Energy= -379.11986233 a.u.
Kinetic Energy= 379.11315932 a.u.
Potential Energy= -758.23302165 a.u.
Virial Ratio = -2.00001768