(1s 2 2s 2 2p 6 3s 1 4s 1 ) 1 S P 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 12.111475 | .02194326 |
| 2 | 2s | 4.881297 | -.09021090 |
| 3 | 3s | 2.028668 | .40637645 |
| 4 | 4s | 1.371946 | -1.28607716 |
| 5 | 5s | 2.749827 | .11998056 |
| 6 | 3s | 24.233937 | .00043646 |
| 7 | 4s | 42.612464 | -.00010534 |
| 8 | 5s | .709134 | -.00040708 |
| ORB.ENERGY,a.u. | -.837500 | ||
| NORM | 1.000000 | < R > | 3.729993 | < R2 > | 14.987468 | < 1/R > | .296399 | < 1/R**2 > | .205925 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .581376 | 1.42793410 |
| 2 | 1s | 13.355895 | .10507301 |
| 3 | 2s | 4.784676 | -.63594154 |
| 4 | 3s | 1.090823 | -1.23966338 |
| 5 | 4s | 2.829272 | .75390262 |
| 6 | 5s | 13.530083 | -.01973050 |
| 7 | 4s | 16.479140 | -.01269091 |
| 8 | 2s | 36.721618 | .00017669 |
| 9 | 5s | .860515 | -.14042051 |
| ORB.ENERGY,a.u. | -1.830200 | ||
| NORM | 1.000001 | < R > | 1.540207 | < R2 > | 2.852617 | < 1/R > | .907470 | < 1/R**2 > | 4.889506 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.135067 | .45583183 |
| 2 | 3p | 6.266167 | .49892353 |
| 3 | 4p | 5.005325 | .15208559 |
| 4 | 5p | 3.389885 | .00610252 |
| 5 | 2p | 17.812433 | .00428514 |
| 6 | 5p | 36.035357 | -.00015105 |
| 7 | 3p | 2.447778 | -.00531139 |
| 8 | 3p | 84.810549 | .00000215 |
| ORB.ENERGY,a.u. | -6.644900 | ||
| NORM | 1.000000 | < R > | .480869 | < R2 > | .288146 | < 1/R > | 2.716362 | < 1/R**2 > | 10.348851 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.193425 | .36066576 |
| 2 | 2s | 6.051946 | -.82777304 |
| 3 | 3s | 5.154954 | -.30341739 |
| 4 | 4s | 23.945880 | .00225970 |
| 5 | 3s | 15.218214 | .00840506 |
| 6 | 2s | 2.491369 | -.00713645 |
| 7 | 5s | 50.877058 | .00003961 |
| 8 | 4s | 1.255493 | -.00036496 |
| ORB.ENERGY,a.u. | -8.831700 | ||
| NORM | 1.000000 | < R > | .514221 | < R2 > | .313958 | < 1/R > | 2.839297 | < 1/R**2 > | 33.219778 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.570438 | 1.01434135 |
| 2 | 2s | 20.437091 | -.02221130 |
| 3 | 3s | 10.622588 | .01921796 |
| 4 | 4s | 58.236382 | -.00049867 |
| 5 | 4s | 10.103261 | .00282341 |
| 6 | 5s | 73.882913 | .00017639 |
| 7 | 5s | 12.491583 | -.00815707 |
| 8 | 2s | 2.414285 | -.00014919 |
| 9 | 2s | 3.068764 | .00026113 |
| 10 | 3s | 117.510408 | -.00001061 |
| ORB.ENERGY,a.u. | -80.779000 |
| NORM | 1.000000 | < R > | .103786 | < R2 > | .014482 | < 1/R > | 14.575227 | < 1/R**2 > | 428.683382 |
Total Energy= -337.57791495 a.u.
Kinetic Energy= 337.57351395 a.u.
Potential Energy= -675.15142890 a.u.
Virial Ratio = -2.00001304