(1s 2 2s 1 2p 1 ) 3 P C 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 1.863938 | .93545623 |
| 2 | 2p | 3.626148 | .10406253 |
| 3 | 3p | 5.147649 | -.03072701 |
| 4 | 4p | 1.489001 | .01443520 |
| 5 | 5p | 1.427470 | -.00436610 |
| 6 | 5p | 15.411098 | -.00023115 |
| ORB.ENERGY,a.u. | -1.509700 | ||
| NORM | 1.000000 | < R > | 1.302591 | < R2 > | 2.063015 | < 1/R > | .978185 | < 1/R**2 > | 1.314579 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.103461 | .30177820 |
| 2 | 2s | 2.108112 | -.83980185 |
| 3 | 3s | 2.433792 | -.22431127 |
| 4 | 4s | 6.855190 | .06092521 |
| 5 | 5s | 8.087429 | -.02076950 |
| 6 | 5s | 2.283945 | -.04122098 |
| 7 | 3s | 9.839052 | .00547698 |
| ORB.ENERGY,a.u. | -1.806600 | ||
| NORM | 1.000000 | < R > | 1.354425 | < R2 > | 2.152013 | < 1/R > | 1.048191 | < 1/R**2 > | 4.411448 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.260830 | .88198349 |
| 2 | 1s | 8.660425 | .12595268 |
| 3 | 2s | 5.792443 | .01472298 |
| 4 | 3s | 7.229235 | -.01765882 |
| 5 | 4s | 10.927401 | .00525476 |
| 6 | 5s | 7.643677 | -.00336711 |
| 7 | 5s | 35.503884 | -.00005580 |
| 8 | 3s | 37.169491 | -.00002561 |
| 9 | 4s | 1.544937 | -.00011513 |
| ORB.ENERGY,a.u. | -12.472000 |
| NORM | 1.000000 | < R > | .267954 | < R2 > | .096737 | < 1/R > | 5.670641 | < 1/R**2 > | 65.345612 |
Total Energy= -36.16536971 a.u.
Kinetic Energy= 36.23574384 a.u.
Potential Energy= -72.40111355 a.u.
Virial Ratio = -1.99805788