(1s 2 2s 2 2p 3 3p 1 ) 3 P F +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 2.128068 | .15617436 |
| 2 | 3p | .860207 | -.95669594 |
| 3 | 2p | 5.439721 | .03215195 |
| 4 | 4p | 6.300041 | .00893035 |
| 5 | 5p | 1.532296 | -.08131135 |
| 6 | 5p | 25.063102 | -.00005327 |
| ORB.ENERGY,a.u. | -.335660 | ||
| NORM | 1.000000 | < R > | 4.138674 | < R2 > | 19.335138 | < 1/R > | .288175 | < 1/R**2 > | .137697 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.511635 | .75483850 |
| 2 | 2p | 4.261449 | .26137325 |
| 3 | 2p | 8.848233 | .01759150 |
| 4 | 3p | .888030 | -.03002271 |
| 5 | 4p | 2.204520 | .01817868 |
| 6 | 5p | 11.112394 | .00307488 |
| ORB.ENERGY,a.u. | -1.904700 | ||
| NORM | 1.000000 | < R > | .871593 | < R2 > | .944132 | < 1/R > | 1.493136 | < 1/R**2 > | 3.127517 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.457212 | .31666395 |
| 2 | 2s | 3.341235 | -.84368693 |
| 3 | 3s | 2.727270 | -.26411812 |
| 4 | 4s | 10.284274 | .01298565 |
| 5 | 3s | 11.332033 | .01104114 |
| 6 | 5s | 4.157370 | -.01694718 |
| 7 | 5s | 32.743207 | -.00009256 |
| 8 | 4s | 1.401369 | -.00065463 |
| 9 | 3s | 26.415846 | -.00019070 |
| ORB.ENERGY,a.u. | -1.920100 | ||
| NORM | 1.000000 | < R > | .922500 | < R2 > | 1.013335 | < 1/R > | 1.562652 | < 1/R**2 > | 9.993674 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.101675 | .85227804 |
| 2 | 1s | 11.736328 | .15457382 |
| 3 | 2s | 8.428500 | -.00557310 |
| 4 | 3s | 5.380188 | .00330372 |
| 5 | 4s | 17.304927 | .00394858 |
| 6 | 5s | 73.549261 | -.00000410 |
| 7 | 3s | 1.851412 | .00005115 |
| ORB.ENERGY,a.u. | -26.471000 |
| NORM | 1.000000 | < R > | .175530 | < R2 > | .041477 | < 1/R > | 8.636406 | < 1/R**2 > | 150.990035 |
Total Energy= -97.95226005 a.u.
Kinetic Energy= 97.94462705 a.u.
Potential Energy= -195.89688710 a.u.
Virial Ratio = -2.00007793