(1s 2 2s 2 2p 2 3d 1 ) 4 P Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 3d- electron | |
| 1 | 3d | 1.392335 | .95378325 |
| 2 | 3d | 4.032761 | .02875205 |
| 3 | 4d | 2.884170 | .02985102 |
| 4 | 5d | 9.110269 | -.00027375 |
| 5 | 5d | 1.378622 | .01345277 |
| 6 | 4d | 26.304073 | .00001845 |
| ORB.ENERGY,a.u. | -.925440 | ||
| NORM | 1.000000 | < R > | 2.469570 | < R2 > | 7.034481 | < 1/R > | .479305 | < 1/R**2 > | .282254 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.246921 | .79503941 |
| 2 | 2p | 5.155840 | .21460533 |
| 3 | 2p | 10.069690 | .01365667 |
| 4 | 3p | 2.308532 | .00764160 |
| 5 | 4p | 1.543514 | -.00200979 |
| 6 | 5p | 21.159351 | -.00097063 |
| 7 | 5p | 1.351476 | .00058379 |
| 8 | 4p | 30.722437 | -.00018752 |
| ORB.ENERGY,a.u. | -4.075100 | ||
| NORM | 1.000000 | < R > | .701250 | < R2 > | .603032 | < 1/R > | 1.831459 | < 1/R**2 > | 4.628814 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.187397 | .35135732 |
| 2 | 2s | 3.945029 | -.83943514 |
| 3 | 3s | 3.657637 | -.27827016 |
| 4 | 4s | 11.683163 | .01538161 |
| 5 | 3s | 13.885933 | .00890315 |
| 6 | 5s | 3.523560 | -.01473147 |
| 7 | 5s | 35.621882 | -.00034459 |
| 8 | 4s | 52.645109 | -.00008796 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .768900 | < R2 > | .697674 | < 1/R > | 1.882346 | < 1/R**2 > | 14.432442 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.709878 | .61348864 |
| 2 | 1s | 13.271672 | .30150214 |
| 3 | 1s | 5.694971 | .00696302 |
| 4 | 2s | 10.366827 | .13444769 |
| 5 | 3s | 10.762244 | -.04345178 |
| 6 | 4s | 18.403028 | .00285952 |
| 7 | 5s | 60.830647 | -.00004115 |
| 8 | 5s | 5.615928 | .00024675 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156988 | < R2 > | .033124 | < 1/R > | 9.641474 | < 1/R**2 > | 187.885615 |
Total Energy= -121.47252238 a.u.
Kinetic Energy= 121.46905418 a.u.
Potential Energy= -242.94157655 a.u.
Virial Ratio = -2.00002855