(1s 2 4p 1 ) 2 P Ne 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 1.096128 | .03471345 |
| 2 | 2p | 2.016242 | 2.10694171 |
| 3 | 3p | 2.029460 | -5.84040918 |
| 4 | 4p | 2.021395 | 4.36780902 |
| 5 | 2p | 6.154330 | .03172047 |
| 6 | 3p | 8.823783 | -.01044448 |
| 7 | 5p | 25.723239 | -.00010695 |
| 8 | 5p | 1.134512 | -.00241819 |
| ORB.ENERGY,a.u. | -2.024000 | ||
| NORM | 1.000000 | < R > | 2.840516 | < R2 > | 9.154414 | < 1/R > | .508438 | < 1/R**2 > | .707841 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.299795 | .88428373 |
| 2 | 1s | 13.453149 | .11126740 |
| 3 | 2s | 7.859400 | .01407732 |
| 4 | 3s | 8.535327 | -.00872217 |
| 5 | 4s | 18.119755 | .00471566 |
| 6 | 5s | 22.647158 | -.00050149 |
| 7 | 5s | 9.331899 | .00016374 |
| 8 | 3s | 34.652038 | -.00004474 |
| ORB.ENERGY,a.u. | -43.373000 |
| NORM | 1.000000 | < R > | .155917 | < R2 > | .032578 | < 1/R > | 9.685114 | < 1/R**2 > | 189.238764 |
Total Energy= -95.88425410 a.u.
Kinetic Energy= 95.88426632 a.u.
Potential Energy= -191.76852041 a.u.
Virial Ratio = -1.99999987