(1s 2 2s 2 2p 3 3p 1 ) 5 P P 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5131.
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 | 3p- electron | |
| 1 | 2p | 2.931317 | 1.36907823 |
| 2 | 3p | 3.113019 | -2.03415780 |
| 3 | 2p | 9.209599 | .10507110 |
| 4 | 4p | 5.546328 | -.14095534 |
| 5 | 5p | 14.941208 | .00572931 |
| 6 | 5p | 2.645950 | -.04190505 |
| 7 | 4p | 32.420865 | -.00032546 |
| 8 | 4p | 2.255232 | .02813077 |
| 9 | 3p | 51.763521 | -.00002236 |
| ORB.ENERGY,a.u. | -4.340000 | ||
| NORM | 1.000000 | < R > | 1.282059 | < R2 > | 1.882046 | < 1/R > | 1.060663 | < 1/R**2 > | 2.385894 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.721887 | 1.34248995 |
| 2 | 3p | 7.315999 | -.42790250 |
| 3 | 4p | 9.082855 | .08155189 |
| 4 | 5p | 4.715946 | .00851973 |
| 5 | 4p | 22.559234 | -.00217105 |
| 6 | 3p | 25.044686 | -.00080428 |
| 7 | 4p | 4.443121 | -.00320651 |
| ORB.ENERGY,a.u. | -12.720000 | ||
| NORM | 1.000000 | < R > | .424646 | < R2 > | .220253 | < 1/R > | 3.006503 | < 1/R**2 > | 12.368549 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.957119 | .39866717 |
| 2 | 2s | 6.347155 | -.85659555 |
| 3 | 3s | 6.041967 | -.28793310 |
| 4 | 4s | 25.061027 | .00195056 |
| 5 | 3s | 14.227300 | .01574553 |
| 6 | 5s | 5.673300 | -.01195672 |
| ORB.ENERGY,a.u. | -12.886000 | ||
| NORM | 1.000000 | < R > | .479902 | < R2 > | .270896 | < 1/R > | 3.047265 | < 1/R**2 > | 37.868038 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.172535 | .93199734 |
| 2 | 1s | 21.936162 | .06618853 |
| 3 | 2s | 12.626223 | .01836551 |
| 4 | 3s | 17.938151 | -.01482234 |
| 5 | 4s | 27.566865 | .00302359 |
| 6 | 5s | 54.779350 | .00008583 |
| 7 | 5s | 11.040009 | .00057559 |
| ORB.ENERGY,a.u. | -86.684000 |
| NORM | 1.000000 | < R > | .103408 | < R2 > | .014351 | < 1/R > | 14.608250 | < 1/R**2 > | 430.177986 |
Total Energy= -309.66803811 a.u.
Kinetic Energy= 309.72752172 a.u.
Potential Energy= -619.39555984 a.u.
Virial Ratio = -1.99980795