(1s 2 2s 1 5p 1 ) 3 P C 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | .543137 | 2.06273696 |
| 2 | 3p | .789656 | -4.08406869 |
| 3 | 4p | .660714 | 5.56409253 |
| 4 | 5p | .618781 | -4.43422697 |
| 5 | 2p | 2.532006 | .11591503 |
| 6 | 5p | 2.801909 | .03055510 |
| 7 | 3p | 5.053357 | -.01009240 |
| ORB.ENERGY,a.u. | -.193080 | ||
| NORM | .999993 | < R > | 11.339927 | < R2 > | 144.688586 | < 1/R > | .128592 | < 1/R**2 > | .060445 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.178049 | .31650324 |
| 2 | 2s | 2.118607 | -.85022311 |
| 3 | 3s | 2.691859 | -.21786704 |
| 4 | 4s | 6.548686 | .01757728 |
| 5 | 3s | 7.198962 | .02343400 |
| 6 | 5s | 4.456776 | -.01861254 |
| 7 | 4s | 1.662542 | -.00402689 |
| 8 | 5s | 19.449639 | -.00008176 |
| 9 | 5s | 1.686526 | .00319961 |
| 10 | 2s | 19.793289 | .00014368 |
| ORB.ENERGY,a.u. | -2.234400 | ||
| NORM | 1.000000 | < R > | 1.282229 | < R2 > | 1.919307 | < 1/R > | 1.114941 | < 1/R**2 > | 5.004637 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.279365 | .88447037 |
| 2 | 1s | 8.627734 | .12395322 |
| 3 | 2s | 4.541540 | .02004820 |
| 4 | 3s | 6.699774 | -.02273624 |
| 5 | 4s | 11.091278 | .00564590 |
| 6 | 5s | 6.462392 | -.00632671 |
| 7 | 5s | 44.390663 | -.00001820 |
| 8 | 4s | 2.730987 | .00052084 |
| ORB.ENERGY,a.u. | -12.472000 |
| NORM | 1.000000 | < R > | .267370 | < R2 > | .096248 | < 1/R > | 5.678837 | < 1/R**2 > | 65.491654 |
Total Energy= -34.91841327 a.u.
Kinetic Energy= 34.91913537 a.u.
Potential Energy= -69.83754863 a.u.
Virial Ratio = -1.99997932