(1s 2 2s 2 2p 3 4p 1 ) 3 P F +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 1.467480 | .17227916 |
| 2 | 3p | 1.071150 | -.61663433 |
| 3 | 4p | .558260 | 1.49240581 |
| 4 | 5p | 1.068086 | -.40867307 |
| 5 | 2p | 4.654096 | .03501382 |
| 6 | 5p | .535252 | -.15624128 |
| 7 | 4p | 4.739744 | .00481052 |
| 8 | 3p | 8.648955 | -.00129566 |
| ORB.ENERGY,a.u. | -.166490 | ||
| NORM | 1.000000 | < R > | 8.612281 | < R2 > | 83.691413 | < 1/R > | .151092 | < 1/R**2 > | .051832 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.481812 | .73235722 |
| 2 | 2p | 4.167868 | .28035522 |
| 3 | 2p | 8.655252 | .01970983 |
| 4 | 3p | 1.397067 | .02281573 |
| 5 | 5p | 11.056051 | .00350840 |
| 6 | 4p | 1.334865 | -.02034795 |
| 7 | 5p | .649030 | .01535344 |
| ORB.ENERGY,a.u. | -2.093700 | ||
| NORM | 1.000000 | < R > | .877077 | < R2 > | .967372 | < 1/R > | 1.488873 | < 1/R**2 > | 3.115018 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.495913 | .31462505 |
| 2 | 2s | 3.319614 | -.84027773 |
| 3 | 3s | 2.759934 | -.27081865 |
| 4 | 4s | 10.925594 | .01432400 |
| 5 | 3s | 12.631880 | .00734201 |
| 6 | 5s | 3.747646 | -.00679269 |
| 7 | 5s | 36.094677 | -.00017375 |
| 8 | 3s | 1.554238 | -.00075556 |
| 9 | 4s | 53.783684 | -.00004030 |
| ORB.ENERGY,a.u. | -1.920100 | ||
| NORM | 1.000000 | < R > | .921263 | < R2 > | 1.010279 | < 1/R > | 1.564639 | < 1/R**2 > | 10.017489 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.102634 | .85134760 |
| 2 | 1s | 11.723731 | .15529009 |
| 3 | 3s | 5.618794 | .00350227 |
| 4 | 2s | 8.228031 | -.00574949 |
| 5 | 4s | 17.199407 | .00410657 |
| 6 | 5s | 87.564418 | -.00000469 |
| 7 | 3s | 2.614729 | .00014829 |
| ORB.ENERGY,a.u. | -26.471000 |
| NORM | 1.000000 | < R > | .175519 | < R2 > | .041471 | < 1/R > | 8.636734 | < 1/R**2 > | 150.998811 |
Total Energy= -97.77847323 a.u.
Kinetic Energy= 97.77546540 a.u.
Potential Energy= -195.55393863 a.u.
Virial Ratio = -2.00003076