(1s 2 2s 2 2p 2 3p 1 ) 4 P F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4131.
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 | 3p | 1.235701 | -1.09160385 |
| 2 | 2p | 2.374318 | .36042544 |
| 3 | 2p | 5.887853 | .05315443 |
| 4 | 4p | 7.146089 | .01547870 |
| 5 | 5p | 4.024250 | -.03415711 |
| 6 | 5p | 1.155052 | -.00873138 |
| ORB.ENERGY,a.u. | -.692300 | ||
| NORM | 1.000000 | < R > | 2.991668 | < R2 > | 10.204503 | < 1/R > | .438010 | < 1/R**2 > | .408348 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.853721 | .81578223 |
| 2 | 2p | 4.784307 | .18106668 |
| 3 | 2p | 10.253068 | .00848823 |
| 4 | 3p | 1.847746 | .04457725 |
| 5 | 4p | 1.635632 | -.01868535 |
| 6 | 5p | 21.022332 | -.00026456 |
| 7 | 5p | 1.570854 | .00760383 |
| 8 | 4p | 81.704809 | .00000191 |
| ORB.ENERGY,a.u. | -2.741800 | ||
| NORM | 1.000000 | < R > | .819934 | < R2 > | .829417 | < 1/R > | 1.575486 | < 1/R**2 > | 3.446624 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.462447 | .33050608 |
| 2 | 2s | 3.406291 | -.85411321 |
| 3 | 3s | 3.035390 | -.26159896 |
| 4 | 4s | 10.576598 | .01748190 |
| 5 | 3s | 12.607062 | .00983510 |
| 6 | 5s | 33.750096 | -.00016417 |
| 7 | 5s | 2.673629 | -.00666837 |
| 8 | 2s | 44.783865 | .00002947 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .884054 | < R2 > | .924788 | < 1/R > | 1.630949 | < 1/R**2 > | 10.836480 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.280604 | .68754322 |
| 2 | 1s | 12.188011 | .22269759 |
| 3 | 1s | 2.947671 | .00583795 |
| 4 | 2s | 9.061254 | .12759360 |
| 5 | 3s | 10.203930 | -.02740901 |
| 6 | 4s | 16.971915 | .00369010 |
| 7 | 5s | 4.921024 | -.00098990 |
| 8 | 5s | 58.456523 | -.00001907 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175265 | < R2 > | .041319 | < 1/R > | 8.644165 | < 1/R**2 > | 151.194778 |
Total Energy= -96.00078855 a.u.
Kinetic Energy= 96.01182678 a.u.
Potential Energy= -192.01261533 a.u.
Virial Ratio = -1.99988503