(1s 2 2s 2 2p 3 5p 1 ) 3 P S 8+
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 | 4.187977 | .31960220 |
| 2 | 3p | 2.241620 | -2.97345988 |
| 3 | 4p | 2.036373 | 6.19066229 |
| 4 | 5p | 1.874646 | -4.11371278 |
| 5 | 2p | 9.661628 | .04271874 |
| 6 | 5p | 33.201885 | -.00028375 |
| 7 | 4p | 48.464768 | -.00006537 |
| ORB.ENERGY,a.u. | -1.764200 | ||
| NORM | 1.000001 | < R > | 3.725982 | < R2 > | 15.610836 | < 1/R > | .382262 | < 1/R**2 > | .497653 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.241642 | 1.30862674 |
| 2 | 3p | 7.967772 | -.38487304 |
| 3 | 4p | 9.840371 | .07415040 |
| 4 | 5p | 2.403868 | .02723415 |
| 5 | 4p | 1.725138 | -.02378354 |
| 6 | 4p | 26.112435 | -.00204846 |
| 7 | 3p | 34.314155 | -.00030340 |
| 8 | 3p | 1.351248 | -.00357461 |
| ORB.ENERGY,a.u. | -16.079000 | ||
| NORM | 1.000000 | < R > | .389503 | < R2 > | .185161 | < 1/R > | 3.268523 | < 1/R**2 > | 14.572685 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.649899 | .41107791 |
| 2 | 2s | 6.880277 | -.86462756 |
| 3 | 3s | 6.576781 | -.29045138 |
| 4 | 4s | 26.944892 | .00191924 |
| 5 | 3s | 14.935771 | .01608482 |
| 6 | 5s | 6.570351 | -.00813424 |
| ORB.ENERGY,a.u. | -15.605000 | ||
| NORM | 1.000000 | < R > | .442826 | < R2 > | .230288 | < 1/R > | 3.307112 | < 1/R**2 > | 44.540176 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.176151 | .93716411 |
| 2 | 1s | 23.607124 | .06078941 |
| 3 | 2s | 13.652696 | .01849835 |
| 4 | 3s | 19.155809 | -.01478315 |
| 5 | 4s | 29.395275 | .00271899 |
| 6 | 5s | 55.019535 | .00008610 |
| 7 | 5s | 11.614515 | .00055849 |
| ORB.ENERGY,a.u. | -100.270000 |
| NORM | 1.000000 | < R > | .096739 | < R2 > | .012554 | < 1/R > | 15.608087 | < 1/R**2 > | 490.828696 |
Total Energy= -353.18214597 a.u.
Kinetic Energy= 353.16740606 a.u.
Potential Energy= -706.34955204 a.u.
Virial Ratio = -2.00004174