(1s 2 2s 2 2p 1 5p 1 ) 3 D C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 1.835314 | .06114836 |
| 2 | 3p | .193235 | -5.29419307 |
| 3 | 4p | .282988 | 5.15594449 |
| 4 | 5p | 1.154147 | -.06350376 |
| 5 | 2p | 4.715666 | .00354396 |
| 6 | 5p | 6.233564 | .00123285 |
| 7 | 5p | .757327 | -.14305602 |
| 8 | 5p | .175129 | .07663250 |
| ORB.ENERGY,a.u. | -.026401 | ||
| NORM | .999996 | < R > | 27.540987 | < R2 > | 853.537566 | < 1/R > | .050233 | < 1/R**2 > | .008545 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.589378 | .80315234 |
| 2 | 2p | 2.545026 | .23787584 |
| 3 | 2p | 6.518398 | .01068490 |
| 4 | 3p | 2.727781 | -.05081855 |
| 5 | 4p | 1.510548 | .04433395 |
| 6 | 4p | 10.455621 | -.00062310 |
| ORB.ENERGY,a.u. | -.818360 | ||
| NORM | 1.000000 | < R > | 1.471464 | < R2 > | 2.684923 | < 1/R > | .885620 | < 1/R**2 > | 1.104227 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.579947 | .24025867 |
| 2 | 2s | 1.552673 | -.76074364 |
| 3 | 3s | 2.861254 | -.27223984 |
| 4 | 4s | 11.713285 | .00196373 |
| 5 | 5s | 5.913481 | -.02898466 |
| 6 | 5s | 1.869591 | .02742979 |
| 7 | 2s | 39.348677 | -.00000301 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.476070 | < R2 > | 2.591520 | < 1/R > | .960833 | < 1/R**2 > | 3.713784 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212969 | .71610136 |
| 2 | 1s | 8.200476 | .22614102 |
| 3 | 1s | 2.387171 | .00354950 |
| 4 | 2s | 6.450444 | .08050722 |
| 5 | 3s | 6.780394 | -.01402187 |
| 6 | 4s | 10.925568 | .00565585 |
| 7 | 5s | 42.395814 | -.00002656 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268108 | < R2 > | .096884 | < 1/R > | 5.668428 | < 1/R**2 > | 65.301486 |
Total Energy= -37.31805914 a.u.
Kinetic Energy= 37.31862242 a.u.
Potential Energy= -74.63668156 a.u.
Virial Ratio = -1.99998491