(1s 1 4p 1 ) 1 P N 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 1.500947 | 2.30286664 |
| 2 | 3p | 1.509213 | -6.09147674 |
| 3 | 4p | 1.498499 | 4.56508666 |
| 4 | 5p | 1.808125 | -.08422592 |
| 5 | 3p | 8.443692 | -.00561961 |
| 6 | 4p | 5.722857 | -.00833535 |
| ORB.ENERGY,a.u. | -1.136200 | ||
| NORM | 1.000003 | < R > | 3.850268 | < R2 > | 16.816306 | < 1/R > | .373649 | < 1/R**2 > | .372423 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.881697 | .75763051 |
| 2 | 1s | 7.102010 | .25595770 |
| 3 | 2s | 6.957986 | -.01522289 |
| 4 | 3s | 7.524576 | -.00053417 |
| 5 | 4s | 3.843922 | .00015116 |
| ORB.ENERGY,a.u. | -24.105000 |
| NORM | 1.000000 | < R > | .214278 | < R2 > | .061225 | < 1/R > | 7.000439 | < 1/R**2 > | 98.012046 |
Total Energy= -25.63352953 a.u.
Kinetic Energy= 25.61998107 a.u.
Potential Energy= -51.25351061 a.u.
Virial Ratio = -2.00052882