(1s 1 4s 1 ) 1 S N 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 4s- electron | |
| 1 | 1s | 3.443479 | .16631318 |
| 2 | 2s | 1.925434 | -2.24688513 |
| 3 | 3s | 1.586546 | 5.25497813 |
| 4 | 4s | 1.514797 | -4.08134737 |
| 5 | 2s | 3.568665 | .20971610 |
| 6 | 5s | 4.175069 | .03998683 |
| 7 | 4s | 12.847809 | .00184617 |
| ORB.ENERGY,a.u. | -1.172400 | ||
| NORM | .999998 | < R > | 3.888500 | < R2 > | 17.017734 | < 1/R > | .352787 | < 1/R**2 > | .478269 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.314749 | -.01785451 |
| 2 | 1s | .757617 | .27147763 |
| 3 | 1s | 6.995410 | 1.00397162 |
| 4 | 2s | 2.522427 | -.13164185 |
| 5 | 3s | 1.214433 | -.27249964 |
| 6 | 4s | 1.918245 | .07866648 |
| 7 | 5s | .908905 | -.00593392 |
| 8 | 5s | 19.025089 | .00009597 |
| ORB.ENERGY,a.u. | -24.141000 |
| NORM | 1.000000 | < R > | .219211 | < R2 > | .091441 | < 1/R > | 7.027498 | < 1/R**2 > | 98.674680 |
Total Energy= -25.66281473 a.u.
Kinetic Energy= 25.65587398 a.u.
Potential Energy= -51.31868871 a.u.
Virial Ratio = -2.00027053