(1s 2 4s 1 ) 2 S N 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 5.583108 | .12628185 |
| 2 | 2s | 1.506087 | -1.45213403 |
| 3 | 3s | 1.290207 | 4.83144616 |
| 4 | 4s | 1.291930 | -4.32414570 |
| 5 | 5s | 2.108572 | .26248676 |
| 6 | 4s | 4.026144 | -.09892032 |
| 7 | 4s | 10.514891 | .00440201 |
| 8 | 5s | 28.470929 | .00012192 |
| ORB.ENERGY,a.u. | -.834210 | ||
| NORM | 1.000002 | < R > | 4.500770 | < R2 > | 22.789766 | < 1/R > | .326000 | < 1/R**2 > | .849860 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.261396 | .70802027 |
| 2 | 1s | 9.246737 | .23302844 |
| 3 | 2s | 7.096328 | .08403992 |
| 4 | 3s | 7.275517 | -.01424320 |
| 5 | 4s | 12.660634 | .00498551 |
| 6 | 5s | 52.636198 | -.00002084 |
| 7 | 5s | 7.053547 | -.00051477 |
| ORB.ENERGY,a.u. | -19.912000 |
| NORM | 1.000000 | < R > | .226510 | < R2 > | .068913 | < 1/R > | 6.686653 | < 1/R**2 > | 90.549874 |
Total Energy= -45.57007019 a.u.
Kinetic Energy= 45.57006540 a.u.
Potential Energy= -91.14013559 a.u.
Virial Ratio = -2.00000011