(1s 2 2s 2 2p 5 4s 1 ) 1 P P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 4s- electron | |
| 1 | 1s | 13.168965 | .06992332 |
| 2 | 2s | 2.565947 | -1.06316203 |
| 3 | 3s | 2.539008 | 2.31614155 |
| 4 | 4s | 1.752360 | -1.62464604 |
| 5 | 5s | 3.701086 | -.23639504 |
| 6 | 4s | 11.679353 | -.03022209 |
| 7 | 5s | 22.502360 | -.00389778 |
| 8 | 4s | 31.671385 | -.00106798 |
| 9 | 5s | 1.372598 | .00743904 |
| 10 | 2s | 71.622183 | .00001582 |
| ORB.ENERGY,a.u. | -1.527100 | ||
| NORM | 1.000001 | < R > | 2.970713 | < R2 > | 9.910651 | < 1/R > | .466930 | < 1/R**2 > | 1.660709 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.852913 | 1.22901876 |
| 2 | 3p | 5.727184 | -.30746779 |
| 3 | 2p | 11.242614 | .07671591 |
| 4 | 5p | 34.904284 | -.00013561 |
| 5 | 4p | 13.485958 | .01252916 |
| 6 | 5p | 3.549537 | .00035808 |
| ORB.ENERGY,a.u. | -9.196200 | ||
| NORM | 1.000000 | < R > | .459564 | < R2 > | .260889 | < 1/R > | 2.816180 | < 1/R**2 > | 11.019934 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.241766 | .32715638 |
| 2 | 2s | 5.237790 | -.76607612 |
| 3 | 3s | 8.332126 | -.22652010 |
| 4 | 4s | 6.151117 | -.08109100 |
| 5 | 5s | 17.776148 | -.00882997 |
| 6 | 5s | 1.778555 | -.00742631 |
| 7 | 4s | 67.131453 | -.00002928 |
| 8 | 3s | 1.028112 | .00406317 |
| 9 | 4s | .911404 | -.00097957 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .500758 | < R2 > | .296480 | < 1/R > | 2.915019 | < 1/R**2 > | 34.872455 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204018 | .92257676 |
| 2 | 1s | 20.944304 | .07364831 |
| 3 | 2s | 8.735023 | .02049099 |
| 4 | 3s | 10.854839 | -.01974349 |
| 5 | 4s | 13.528581 | .00988558 |
| 6 | 5s | 35.915602 | .00070866 |
| 7 | 3s | 53.145282 | -.00010229 |
| 8 | 5s | 2.142043 | .00073211 |
| 9 | 4s | 2.183006 | -.00055351 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103677 | < R2 > | .014445 | < 1/R > | 14.584751 | < 1/R**2 > | 429.114633 |
Total Energy= -327.85028492 a.u.
Kinetic Energy= 327.84080964 a.u.
Potential Energy= -655.69109457 a.u.
Virial Ratio = -2.00002890