(1s 2 2s 2 2p 6 3s 2 3p 4 ) 1 S S 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 5.066707 | .33615787 |
| 2 | 2p | 1.145719 | -.80328708 |
| 3 | 3p | 2.408732 | -.25628601 |
| 4 | 2p | 12.468672 | .01818126 |
| 5 | 4p | 8.316702 | -.04250142 |
| 6 | 5p | 1.132731 | -.03083704 |
| 7 | 5p | 36.365323 | -.00011389 |
| 8 | 3p | 29.149967 | -.00009105 |
| ORB.ENERGY,a.u. | -.200940 | ||
| NORM | 1.000000 | < R > | 2.105296 | < R2 > | 5.335193 | < 1/R > | .643141 | < 1/R**2 > | .932929 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 7.522201 | -.07050113 |
| 2 | 1s | 11.984175 | .15584825 |
| 3 | 2s | 5.402184 | -.34977936 |
| 4 | 3s | 2.060409 | .79042736 |
| 5 | 4s | 3.743676 | .23130113 |
| 6 | 3s | 17.169686 | .00367584 |
| 7 | 5s | 1.763127 | .09019346 |
| 8 | 4s | 52.865650 | -.00004993 |
| 9 | 2s | .638652 | .00140749 |
| ORB.ENERGY,a.u. | -.897360 | ||
| NORM | 1.000000 | < R > | 1.715395 | < R2 > | 3.421761 | < 1/R > | .788882 | < 1/R**2 > | 3.562961 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.953015 | .44219331 |
| 2 | 3p | 6.916637 | .50969781 |
| 3 | 4p | 5.528826 | .15086189 |
| 4 | 5p | 3.809165 | .00708630 |
| 5 | 2p | 21.455432 | .00238765 |
| 6 | 3p | 49.998670 | .00002881 |
| 7 | 4p | 1.561655 | .00169319 |
| 8 | 5p | 60.163660 | .00001984 |
| ORB.ENERGY,a.u. | -6.523900 | ||
| NORM | 1.000000 | < R > | .441408 | < R2 > | .242684 | < 1/R > | 2.953216 | < 1/R**2 > | 12.195269 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.924086 | .37000299 |
| 2 | 2s | 6.882837 | -.73718929 |
| 3 | 3s | 6.021575 | -.38888465 |
| 4 | 4s | 4.875741 | -.02962299 |
| 5 | 3s | 15.765667 | .00937438 |
| 6 | 4s | 26.718083 | .00178983 |
| 7 | 5s | 2.544424 | -.00073962 |
| ORB.ENERGY,a.u. | -8.792300 | ||
| NORM | 1.000000 | < R > | .475711 | < R2 > | .268451 | < 1/R > | 3.073577 | < 1/R**2 > | 38.908384 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.563453 | 1.01357839 |
| 2 | 2s | 18.233311 | -.01501634 |
| 3 | 3s | 14.019183 | .01729477 |
| 4 | 4s | 62.543928 | -.00035863 |
| 5 | 4s | 6.676688 | .00184918 |
| 6 | 5s | 82.217165 | .00011274 |
| 7 | 5s | 7.117039 | -.00118335 |
| 8 | 2s | 23.676731 | -.00960459 |
| 9 | 2s | 201.465342 | .00000085 |
| 10 | 3s | 1.676803 | -.00001450 |
| ORB.ENERGY,a.u. | -91.231000 |
| NORM | 1.000000 | < R > | .097150 | < R2 > | .012686 | < 1/R > | 15.566524 | < 1/R**2 > | 488.810205 |
Total Energy= -397.50298236 a.u.
Kinetic Energy= 397.37470037 a.u.
Potential Energy= -794.87768273 a.u.
Virial Ratio = -2.00032282