(1s 2 2s 2 2p 1 4p 1 ) 1 D Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 4p- electron | |
| 1 | 2p | 2.761852 | .28626679 |
| 2 | 3p | 1.392866 | -2.36659875 |
| 3 | 4p | 1.353506 | 2.75951805 |
| 4 | 5p | 6.880673 | -.01256573 |
| 5 | 2p | 8.410663 | .00786708 |
| 6 | 5p | 2.413427 | -.06473255 |
| ORB.ENERGY,a.u. | -.887650 | ||
| NORM | 1.000000 | < R > | 4.037502 | < R2 > | 18.368543 | < 1/R > | .315921 | < 1/R**2 > | .187928 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.102033 | .92145596 |
| 2 | 3p | 1.909646 | -.09631416 |
| 3 | 2p | 12.433699 | .00790052 |
| 4 | 5p | 9.103537 | -.00748818 |
| 5 | 5p | 1.435468 | .12079817 |
| 6 | 4p | 4.074077 | .15223424 |
| 7 | 3p | 19.382838 | .00032989 |
| ORB.ENERGY,a.u. | -5.463100 | ||
| NORM | 1.000000 | < R > | .670415 | < R2 > | .654485 | < 1/R > | 1.956203 | < 1/R**2 > | 5.219495 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.876476 | .32409293 |
| 2 | 2s | 3.378045 | -.79266186 |
| 3 | 3s | 5.250791 | -.27225460 |
| 4 | 4s | 16.989237 | .00316882 |
| 5 | 5s | 10.414077 | -.01221827 |
| 6 | 5s | 3.732921 | .01687558 |
| 7 | 4s | 30.959093 | .00013673 |
| 8 | 3s | .965083 | .00023009 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .739754 | < R2 > | .642504 | < 1/R > | 1.958848 | < 1/R**2 > | 15.551590 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.642099 | .00015879 |
| 2 | 1s | 9.269622 | .89184368 |
| 3 | 1s | 13.715914 | .10444266 |
| 4 | 2s | 7.444056 | .01504485 |
| 5 | 3s | 10.928182 | -.00730715 |
| 6 | 4s | 18.686046 | .00414184 |
| 7 | 5s | 10.359932 | -.00189668 |
| 8 | 5s | 36.765774 | .00007972 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156653 | < R2 > | .032948 | < 1/R > | 9.654260 | < 1/R**2 > | 188.267018 |
Total Energy= -116.80739323 a.u.
Kinetic Energy= 116.79831663 a.u.
Potential Energy= -233.60570986 a.u.
Virial Ratio = -2.00007771