(1s 2 2s 2 2p 1 3s 1 ) 1 P S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1130.
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 | 3s- electron | |
| 1 | 1s | 12.335829 | .20567067 |
| 2 | 2s | 4.526258 | -1.29773313 |
| 3 | 3s | 4.010643 | 1.87544758 |
| 4 | 4s | 9.141717 | -.04808213 |
| 5 | 5s | 17.571876 | -.00702277 |
| 6 | 4s | 31.769331 | .00036280 |
| 7 | 4s | 2.830324 | .00104667 |
| ORB.ENERGY,a.u. | -7.876700 | ||
| NORM | 1.000000 | < R > | 1.063556 | < R2 > | 1.275571 | < 1/R > | 1.331536 | < 1/R**2 > | 10.479039 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.672965 | 1.08899900 |
| 2 | 3p | 8.546897 | -.10649514 |
| 3 | 2p | 13.744046 | .01647287 |
| 4 | 5p | 11.608602 | .00600073 |
| 5 | 4p | 26.114984 | -.00215188 |
| 6 | 3p | 31.289765 | -.00048546 |
| 7 | 5p | 6.039823 | .00687168 |
| 8 | 4p | 5.149950 | -.00615745 |
| ORB.ENERGY,a.u. | -19.559000 | ||
| NORM | 1.000000 | < R > | .368742 | < R2 > | .164484 | < 1/R > | 3.426371 | < 1/R**2 > | 15.880885 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.542290 | .38993284 |
| 2 | 2s | 6.374324 | -.80705989 |
| 3 | 3s | 8.411553 | -.28657170 |
| 4 | 4s | 30.832022 | .00142475 |
| 5 | 5s | 16.614568 | -.01228579 |
| 6 | 5s | 4.837806 | .00709356 |
| 7 | 3s | 59.035976 | .00002308 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .422385 | < R2 > | .208372 | < 1/R > | 3.475333 | < 1/R**2 > | 48.795118 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.253283 | .91827394 |
| 2 | 1s | 22.051113 | .07533494 |
| 3 | 2s | 12.066335 | .02194507 |
| 4 | 3s | 14.483915 | -.01201989 |
| 5 | 4s | 4.286347 | -.00080284 |
| 6 | 5s | 39.362404 | .00091774 |
| 7 | 3s | 67.593760 | -.00005229 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096395 | < R2 > | .012446 | < 1/R > | 15.643812 | < 1/R**2 > | 492.571769 |
Total Energy= -324.29073476 a.u.
Kinetic Energy= 324.23943256 a.u.
Potential Energy= -648.53016733 a.u.
Virial Ratio = -2.00015822