(1s 2 2s 2 2p 2 5p 1 ) 2 D P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 5p- electron | |
| 1 | 2p | 3.946835 | .36365478 |
| 2 | 3p | 2.193877 | -3.23257336 |
| 3 | 4p | 1.961905 | 7.33020599 |
| 4 | 5p | 1.877699 | -5.05464591 |
| 5 | 2p | 9.204691 | .03857064 |
| 6 | 5p | 30.349322 | -.00035775 |
| 7 | 4p | 44.060842 | -.00008602 |
| 8 | 4p | 1.323385 | -.01655535 |
| ORB.ENERGY,a.u. | -1.744200 | ||
| NORM | 1.000001 | < R > | 3.769359 | < R2 > | 15.975860 | < 1/R > | .376380 | < 1/R**2 > | .468129 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.040759 | 1.22809808 |
| 2 | 3p | 8.025010 | -.27929212 |
| 3 | 4p | 10.310487 | .05001645 |
| 4 | 5p | 2.337952 | .05596231 |
| 5 | 4p | 1.702729 | -.05631646 |
| 6 | 5p | 32.154574 | -.00097861 |
| 7 | 5p | 56.338447 | -.00008427 |
| 8 | 3p | 33.580415 | -.00020599 |
| ORB.ENERGY,a.u. | -15.215000 | ||
| NORM | 1.000000 | < R > | .409041 | < R2 > | .204674 | < 1/R > | 3.104538 | < 1/R**2 > | 13.101927 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.924053 | .41174462 |
| 2 | 2s | 6.452285 | -.85462870 |
| 3 | 3s | 6.631550 | -.28047421 |
| 4 | 4s | 25.078330 | .00209342 |
| 5 | 3s | 14.128368 | .01735285 |
| 6 | 5s | 6.673132 | -.02739478 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467148 | < R2 > | .255871 | < 1/R > | 3.134199 | < 1/R**2 > | 39.885383 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.109483 | .92171204 |
| 2 | 1s | 21.589781 | .07719622 |
| 3 | 2s | 13.447568 | .01933310 |
| 4 | 3s | 16.735197 | -.01553649 |
| 5 | 5s | 35.619012 | .00099105 |
| 6 | 4s | 86.787960 | -.00003314 |
| 7 | 5s | 11.652577 | .00051283 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103192 | < R2 > | .014278 | < 1/R > | 14.627830 | < 1/R**2 > | 431.073035 |
Total Energy= -293.44922253 a.u.
Kinetic Energy= 293.43845111 a.u.
Potential Energy= -586.88767363 a.u.
Virial Ratio = -2.00003671