(1s 2 2s 2 2p 1 5p 1 ) 3 P S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 4.717520 | .35070066 |
| 2 | 3p | 2.562499 | -3.51535091 |
| 3 | 4p | 2.265014 | 9.57923064 |
| 4 | 5p | 2.276554 | -7.02488926 |
| 5 | 2p | 10.954295 | .01395520 |
| 6 | 5p | 4.505004 | -.10341188 |
| 7 | 5p | 34.381304 | -.00028456 |
| 8 | 4p | 50.976115 | -.00005306 |
| ORB.ENERGY,a.u. | -2.566200 | ||
| NORM | 1.000006 | < R > | 3.125744 | < R2 > | 10.993741 | < 1/R > | .435642 | < 1/R**2 > | .487836 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.818816 | 1.14756519 |
| 2 | 3p | 1.700388 | -.53378651 |
| 3 | 3p | 9.445541 | -.14499583 |
| 4 | 4p | 2.615764 | .23874807 |
| 5 | 5p | 2.834089 | .23415132 |
| 6 | 5p | 15.045889 | .01103916 |
| 7 | 4p | 29.741261 | -.00148555 |
| 8 | 5p | 1.832577 | .06979251 |
| 9 | 3p | 40.567436 | -.00018396 |
| ORB.ENERGY,a.u. | -20.299000 | ||
| NORM | 1.000000 | < R > | .373617 | < R2 > | .202427 | < 1/R > | 3.465871 | < 1/R**2 > | 16.244209 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.756223 | .37944601 |
| 2 | 2s | 6.118382 | -.81202384 |
| 3 | 3s | 8.815012 | -.28428383 |
| 4 | 4s | 29.833413 | .00131822 |
| 5 | 5s | 17.071225 | -.00967658 |
| 6 | 5s | 6.766839 | .01758045 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424197 | < R2 > | .210485 | < 1/R > | 3.461923 | < 1/R**2 > | 48.454874 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.170133 | .93441028 |
| 2 | 1s | 23.729714 | .06319205 |
| 3 | 2s | 14.181913 | .02444937 |
| 4 | 3s | 23.063044 | -.00874793 |
| 5 | 4s | 18.971283 | -.01197736 |
| 6 | 5s | 41.870569 | .00073113 |
| 7 | 3s | 75.733131 | -.00002836 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096368 | < R2 > | .012437 | < 1/R > | 15.646607 | < 1/R**2 > | 492.712539 |
Total Energy= -318.94747539 a.u.
Kinetic Energy= 318.94834841 a.u.
Potential Energy= -637.89582380 a.u.
Virial Ratio = -1.99999726