(1s 2 2s 2 3p 1 ) 2 P S 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 5.151323 | .86990723 |
| 2 | 3p | 4.106207 | -1.51105316 |
| 3 | 2p | 11.126388 | .05676662 |
| 4 | 4p | 12.263775 | .01436177 |
| 5 | 5p | 20.787319 | .00190440 |
| 6 | 5p | 3.876904 | .00416472 |
| ORB.ENERGY,a.u. | -8.578800 | ||
| NORM | 1.000000 | < R > | .971310 | < R2 > | 1.086271 | < 1/R > | 1.432053 | < 1/R**2 > | 4.240341 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.417031 | .40122103 |
| 2 | 2s | 6.522361 | -.81062703 |
| 3 | 3s | 8.545138 | -.28707896 |
| 4 | 5s | 15.459085 | -.01416792 |
| 5 | 4s | 31.125620 | .00268446 |
| 6 | 5s | 45.273219 | -.00044236 |
| 7 | 5s | 3.232563 | -.00003710 |
| ORB.ENERGY,a.u. | -26.744000 | ||
| NORM | 1.000000 | < R > | .417109 | < R2 > | .203323 | < 1/R > | 3.526184 | < 1/R**2 > | 50.118686 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.139911 | .93154954 |
| 2 | 1s | 23.827704 | .06624119 |
| 3 | 2s | 16.863574 | .01912094 |
| 4 | 3s | 18.156147 | -.01514449 |
| 5 | 5s | 36.039916 | .00085366 |
| 6 | 4s | 79.751702 | -.00006315 |
| 7 | 5s | 8.582766 | -.00008460 |
| ORB.ENERGY,a.u. | -111.190000 |
| NORM | 1.000000 | < R > | .096191 | < R2 > | .012382 | < 1/R > | 15.665191 | < 1/R**2 > | 493.623477 |
Total Energy= -304.24734506 a.u.
Kinetic Energy= 304.24733632 a.u.
Potential Energy= -608.49468138 a.u.
Virial Ratio = -2.00000003