(1s 1 4p 1 ) 3 P N 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 1.415485 | 2.97986407 |
| 2 | 3p | 1.650748 | -6.31466998 |
| 3 | 4p | 1.555050 | 4.78549838 |
| 4 | 5p | 1.806075 | -1.18913107 |
| 5 | 3p | 5.782979 | -.01261976 |
| 6 | 2p | .966525 | .11002591 |
| 7 | 4p | 2.915731 | .14356825 |
| 8 | 5p | 31.231421 | .00002935 |
| ORB.ENERGY,a.u. | -1.155100 | ||
| NORM | .999999 | < R > | 3.784839 | < R2 > | 16.251287 | < 1/R > | .381239 | < 1/R**2 > | .396805 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.877198 | .75763747 |
| 2 | 1s | 7.102348 | .25610092 |
| 3 | 2s | 7.008996 | -.01576404 |
| 4 | 3s | 3.942178 | -.00033572 |
| 5 | 4s | 7.111856 | .00033693 |
| 6 | 5s | 21.922792 | -.00001886 |
| ORB.ENERGY,a.u. | -24.124000 |
| NORM | 1.000000 | < R > | .214429 | < R2 > | .061315 | < 1/R > | 6.996535 | < 1/R**2 > | 97.920875 |
Total Energy= -25.63395579 a.u.
Kinetic Energy= 25.63887610 a.u.
Potential Energy= -51.27283190 a.u.
Virial Ratio = -1.99980809