(1s 2 2s 2 2p 4 3p 1 ) 4 D F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4231.
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 | 3p | .645695 | -.78017219 |
| 2 | 2p | 2.085619 | .08332012 |
| 3 | 2p | 4.809081 | .03693244 |
| 4 | 4p | 5.041561 | .01255263 |
| 5 | 5p | .611985 | -.25380858 |
| 6 | 5p | 18.866770 | -.00020011 |
| 7 | 4p | .415842 | -.03056275 |
| 8 | 3p | 60.592587 | .00000536 |
| ORB.ENERGY,a.u. | -.104780 | ||
| NORM | 1.000000 | < R > | 6.320720 | < R2 > | 46.323633 | < 1/R > | .195986 | < 1/R**2 > | .073807 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.916686 | .31894402 |
| 2 | 2p | 9.720634 | .01687907 |
| 3 | 3p | 1.506594 | .06088778 |
| 4 | 4p | 9.303801 | .01506628 |
| 5 | 4p | 1.196256 | -.02247115 |
| 6 | 5p | 1.168072 | .01056702 |
| 7 | 3p | 12.057999 | .00385121 |
| 8 | 2p | 2.206433 | .67050896 |
| ORB.ENERGY,a.u. | -.972400 | ||
| NORM | 1.000000 | < R > | .970961 | < R2 > | 1.198905 | < 1/R > | 1.376925 | < 1/R**2 > | 2.729331 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.480679 | .30295616 |
| 2 | 2s | 3.288093 | -.83795530 |
| 3 | 3s | 2.599576 | -.32060120 |
| 4 | 4s | 4.895807 | .03014273 |
| 5 | 3s | 8.674203 | .02773831 |
| 6 | 5s | 19.517660 | .00070531 |
| 7 | 5s | 2.127573 | -.00446814 |
| 8 | 3s | .359114 | -.00005289 |
| 9 | 2s | 48.588475 | .00000771 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .961505 | < R2 > | 1.110209 | < 1/R > | 1.502562 | < 1/R**2 > | 9.287377 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.230754 | .87175663 |
| 2 | 1s | 12.228620 | .12119691 |
| 3 | 1s | 10.021848 | .00286351 |
| 4 | 2s | 6.011797 | .01817556 |
| 5 | 3s | 8.218554 | -.00758249 |
| 6 | 4s | 17.135932 | .00294246 |
| 7 | 5s | 51.511760 | -.00004141 |
| 8 | 5s | 4.225247 | .00045396 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175673 | < R2 > | .041565 | < 1/R > | 8.632343 | < 1/R**2 > | 150.884442 |
Total Energy= -98.93500284 a.u.
Kinetic Energy= 98.93649226 a.u.
Potential Energy= -197.87149509 a.u.
Virial Ratio = -1.99998495