(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 3 S S 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 3p | 1.618983 | -.26120960 |
| 2 | 4p | 1.003926 | 1.34509413 |
| 3 | 5p | .756075 | -1.61284615 |
| 4 | 3p | 2.627678 | -.14326557 |
| 5 | 2p | 10.151929 | .01522417 |
| 6 | 2p | 4.860464 | .07562411 |
| 7 | 4p | 13.073060 | .00206413 |
| ORB.ENERGY,a.u. | -.267770 | ||
| NORM | 1.000001 | < R > | 8.152665 | < R2 > | 74.340285 | < 1/R > | .164607 | < 1/R**2 > | .096936 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.543951 | .32766765 |
| 2 | 2p | 1.551178 | -.49125077 |
| 3 | 3p | 2.249535 | -.61623232 |
| 4 | 2p | 8.825544 | .09996250 |
| 5 | 3p | 13.136814 | -.00466820 |
| 6 | 4p | 1.276948 | .01059177 |
| 7 | 4p | 29.521308 | -.00027119 |
| 8 | 5p | 1.388378 | -.00090156 |
| 9 | 3p | 42.476753 | -.00002014 |
| ORB.ENERGY,a.u. | -1.255200 | ||
| NORM | 1.000000 | < R > | 1.671535 | < R2 > | 3.218619 | < 1/R > | .796897 | < 1/R**2 > | 1.402378 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.958694 | -.41612928 |
| 2 | 1s | 11.414633 | .19990054 |
| 3 | 1s | 51.547769 | .00014394 |
| 4 | 2s | 5.308987 | -.15612044 |
| 5 | 3s | 2.530885 | 1.02981179 |
| 6 | 4s | 4.465528 | .08721128 |
| 7 | 3s | 32.818980 | -.00063239 |
| 8 | 5s | 2.394780 | .10446139 |
| ORB.ENERGY,a.u. | -1.708600 | ||
| NORM | 1.000000 | < R > | 1.542386 | < R2 > | 2.712715 | < 1/R > | .877141 | < 1/R**2 > | 4.457151 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 19.465002 | .00330087 |
| 2 | 2p | 8.913977 | .44640965 |
| 3 | 3p | 6.902453 | .50708415 |
| 4 | 5p | 3.876991 | .00495553 |
| 5 | 4p | 5.529623 | .14869168 |
| 6 | 5p | 29.620400 | -.00016067 |
| 7 | 4p | 32.506989 | -.00021434 |
| 8 | 3p | .332539 | .00013138 |
| ORB.ENERGY,a.u. | -7.544900 | ||
| NORM | 1.000000 | < R > | .440065 | < R2 > | .240820 | < 1/R > | 2.959251 | < 1/R**2 > | 12.236706 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.010105 | .36726390 |
| 2 | 2s | 6.304868 | -.76623484 |
| 3 | 3s | 5.325940 | -.16181235 |
| 4 | 4s | 23.810207 | .00247548 |
| 5 | 2s | 5.337638 | -.19451138 |
| 6 | 3s | 17.707028 | .00547878 |
| 7 | 4s | 3.690870 | -.00174321 |
| 8 | 5s | 46.069357 | .00011749 |
| ORB.ENERGY,a.u. | -9.849800 | ||
| NORM | 1.000000 | < R > | .474396 | < R2 > | .266755 | < 1/R > | 3.081484 | < 1/R**2 > | 39.090821 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554867 | 1.01450064 |
| 2 | 2s | 20.546607 | -.02542392 |
| 3 | 3s | 12.088437 | .02045886 |
| 4 | 4s | 16.289957 | -.00018715 |
| 5 | 4s | 31.381926 | .00163452 |
| 6 | 2s | 66.429442 | .00001882 |
| 7 | 5s | 14.502977 | -.00547659 |
| 8 | 3s | 6.590301 | .00045230 |
| 9 | 4s | 3.606557 | -.00001414 |
| ORB.ENERGY,a.u. | -92.338000 |
| NORM | 1.000000 | < R > | .097136 | < R2 > | .012682 | < 1/R > | 15.567995 | < 1/R**2 > | 488.881100 |
Total Energy= -395.34767179 a.u.
Kinetic Energy= 395.34493194 a.u.
Potential Energy= -790.69260373 a.u.
Virial Ratio = -2.00000693