(1s 2 2s 2 2p 3 4s 1 ) 3 S S 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 12.890765 | .10293160 |
| 2 | 2s | 3.182440 | -1.42660311 |
| 3 | 3s | 3.059706 | 3.15025465 |
| 4 | 4s | 2.462943 | -2.19484916 |
| 5 | 5s | 4.350146 | -.17410321 |
| 6 | 4s | 14.049774 | -.00871270 |
| 7 | 5s | 33.068492 | .00014825 |
| 8 | 4s | 57.204000 | -.00000298 |
| ORB.ENERGY,a.u. | -3.036300 | ||
| NORM | 1.000000 | < R > | 2.238061 | < R2 > | 5.622022 | < 1/R > | .630971 | < 1/R**2 > | 3.066116 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.276702 | 1.28775221 |
| 2 | 3p | 8.206443 | -.37993441 |
| 3 | 4p | 10.308074 | .08387442 |
| 4 | 5p | 23.677283 | .00112964 |
| 5 | 4p | 3.725281 | .00452002 |
| 6 | 5p | 18.620792 | .00376569 |
| 7 | 5p | 3.455475 | -.00417690 |
| 8 | 3p | 2.390945 | .00281265 |
| ORB.ENERGY,a.u. | -15.875000 | ||
| NORM | 1.000000 | < R > | .390109 | < R2 > | .185348 | < 1/R > | 3.263741 | < 1/R**2 > | 14.535750 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.873312 | .40126122 |
| 2 | 2s | 6.640496 | -.89114300 |
| 3 | 3s | 6.464715 | -.29848963 |
| 4 | 4s | 7.384050 | .04971784 |
| 5 | 3s | 17.390724 | .01301594 |
| 6 | 5s | 2.696575 | -.01418107 |
| 7 | 2s | 62.894790 | .00002710 |
| 8 | 3s | 2.269424 | .01004803 |
| 9 | 4s | 50.814527 | -.00008772 |
| ORB.ENERGY,a.u. | -15.605000 | ||
| NORM | 1.000000 | < R > | .442037 | < R2 > | .229609 | < 1/R > | 3.313906 | < 1/R**2 > | 44.713244 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.182694 | .93588574 |
| 2 | 1s | 23.587147 | .06119214 |
| 3 | 2s | 14.292137 | .01792032 |
| 4 | 3s | 17.737619 | -.01545817 |
| 5 | 4s | 18.949649 | .00389657 |
| 6 | 5s | 39.209861 | .00091776 |
| 7 | 5s | 13.437368 | .00139113 |
| 8 | 4s | 2.061663 | .00372461 |
| 9 | 3s | 1.702492 | -.00331395 |
| 10 | 3s | 68.115821 | -.00005083 |
| ORB.ENERGY,a.u. | -100.270000 |
| NORM | 1.000000 | < R > | .096746 | < R2 > | .012558 | < 1/R > | 15.607469 | < 1/R**2 > | 490.797902 |
Total Energy= -354.45784803 a.u.
Kinetic Energy= 354.43447794 a.u.
Potential Energy= -708.89232596 a.u.
Virial Ratio = -2.00006594