(1s 2 2s 2 2p 3 5p 1 ) 3 P P 7+
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 | 3.890713 | .29047873 |
| 2 | 3p | 2.016362 | -2.83124831 |
| 3 | 4p | 1.832503 | 5.87523502 |
| 4 | 5p | 1.672449 | -3.91024911 |
| 5 | 2p | 8.986346 | .04208477 |
| 6 | 5p | 30.394187 | -.00032731 |
| 7 | 4p | 44.820630 | -.00007423 |
| ORB.ENERGY,a.u. | -1.404700 | ||
| NORM | 1.000002 | < R > | 4.159187 | < R2 > | 19.449294 | < 1/R > | .341354 | < 1/R**2 > | .395650 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.771472 | 1.31877038 |
| 2 | 3p | 7.462953 | -.39291466 |
| 3 | 4p | 9.310917 | .07155796 |
| 4 | 5p | 2.020539 | .04425288 |
| 5 | 4p | 1.559434 | -.06776054 |
| 6 | 4p | 23.142109 | -.00182307 |
| 7 | 3p | 24.916123 | -.00072682 |
| 8 | 3p | 1.314495 | .02366895 |
| ORB.ENERGY,a.u. | -13.335000 | ||
| NORM | 1.000000 | < R > | .422758 | < R2 > | .218523 | < 1/R > | 3.016363 | < 1/R**2 > | 12.435558 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.939225 | .40087801 |
| 2 | 2s | 6.368169 | -.85708026 |
| 3 | 3s | 6.091606 | -.28762494 |
| 4 | 4s | 25.133549 | .00205237 |
| 5 | 3s | 14.099399 | .01624262 |
| 6 | 5s | 6.206342 | -.01277811 |
| ORB.ENERGY,a.u. | -12.886000 | ||
| NORM | 1.000000 | < R > | .478224 | < R2 > | .268782 | < 1/R > | 3.057503 | < 1/R**2 > | 38.099303 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.174612 | .93174363 |
| 2 | 1s | 21.909235 | .06641784 |
| 3 | 2s | 12.627555 | .01836687 |
| 4 | 3s | 17.872889 | -.01483564 |
| 5 | 4s | 27.556969 | .00302482 |
| 6 | 5s | 53.745317 | .00008803 |
| 7 | 5s | 10.560140 | .00055639 |
| ORB.ENERGY,a.u. | -86.684000 |
| NORM | 1.000000 | < R > | .103383 | < R2 > | .014343 | < 1/R > | 14.610662 | < 1/R**2 > | 430.289701 |
Total Energy= -306.80765544 a.u.
Kinetic Energy= 306.79485676 a.u.
Potential Energy= -613.60251221 a.u.
Virial Ratio = -2.00004172