(1s 2 2s 2 2p 2 3s 1 ) 4 P F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4130.
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 | 7.737695 | .11533051 |
| 2 | 2s | 2.614185 | -.49378813 |
| 3 | 3s | 1.393213 | 1.14422463 |
| 4 | 4s | 6.399876 | -.04015820 |
| 5 | 5s | 11.109738 | -.00292266 |
| 6 | 4s | 1.016663 | .00567694 |
| 7 | 4s | 31.706375 | -.00004288 |
| ORB.ENERGY,a.u. | -.846100 | ||
| NORM | 1.000000 | < R > | 2.709579 | < R2 > | 8.350611 | < 1/R > | .508637 | < 1/R**2 > | 1.538450 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.795662 | .77785514 |
| 2 | 2p | 4.714693 | .21171010 |
| 3 | 2p | 10.541424 | .00731295 |
| 4 | 3p | 1.819620 | .03920772 |
| 5 | 4p | 1.578922 | -.01582714 |
| 6 | 4p | 4.878430 | .01464731 |
| 7 | 5p | 20.809607 | -.00024072 |
| 8 | 5p | 1.551004 | .00551062 |
| ORB.ENERGY,a.u. | -2.752100 | ||
| NORM | 1.000000 | < R > | .823403 | < R2 > | .836764 | < 1/R > | 1.569698 | < 1/R**2 > | 3.423352 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.448517 | .33057275 |
| 2 | 2s | 3.422215 | -.84147296 |
| 3 | 3s | 3.089146 | -.25621201 |
| 4 | 4s | 10.273502 | .01214911 |
| 5 | 3s | 11.030137 | .01373513 |
| 6 | 5s | 1.591647 | -.00705927 |
| 7 | 4s | 2.267417 | -.01896817 |
| 8 | 2s | 1.787990 | -.00934242 |
| 9 | 5s | 37.472982 | -.00008821 |
| 10 | 2s | 50.279440 | .00001356 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .889370 | < R2 > | .940809 | < 1/R > | 1.625511 | < 1/R**2 > | 10.781955 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.281246 | .68727944 |
| 2 | 1s | 12.186870 | .22261573 |
| 3 | 1s | 3.858688 | .00558912 |
| 4 | 2s | 9.083072 | .12659462 |
| 5 | 3s | 10.358371 | -.02728396 |
| 6 | 4s | 17.198497 | .00454587 |
| 7 | 5s | 1.947393 | .00054138 |
| 8 | 5s | 23.465789 | -.00014266 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175213 | < R2 > | .041290 | < 1/R > | 8.645698 | < 1/R**2 > | 151.234112 |
Total Energy= -96.15267270 a.u.
Kinetic Energy= 96.16510361 a.u.
Potential Energy= -192.31777631 a.u.
Virial Ratio = -1.99987073