(1s 2 2s 2 2p 2 3d 1 ) 2 F Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2332.
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 | 1.710132 | 1.07662810 |
| 2 | 3d | 4.949309 | .02011034 |
| 3 | 4d | 2.111479 | -.08529044 |
| 4 | 5d | 32.127877 | .00001909 |
| 5 | 4d | 55.402305 | .00000251 |
| ORB.ENERGY,a.u. | -1.420200 | ||
| NORM | 1.000000 | < R > | 2.022354 | < R2 > | 4.705291 | < 1/R > | .583210 | < 1/R**2 > | .415796 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.857564 | 1.22093718 |
| 2 | 3p | 4.684974 | -.24690013 |
| 3 | 2p | 10.470141 | .02291878 |
| 4 | 4p | 11.261952 | .00590029 |
| 5 | 5p | 23.221487 | -.00035089 |
| 6 | 5p | 2.326282 | -.00153610 |
| 7 | 4p | 2.420940 | .00264452 |
| ORB.ENERGY,a.u. | -5.617700 | ||
| NORM | 1.000000 | < R > | .612447 | < R2 > | .458520 | < 1/R > | 2.088973 | < 1/R**2 > | 5.993828 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.981579 | .36413483 |
| 2 | 2s | 4.433665 | -.82895242 |
| 3 | 3s | 4.443946 | -.26952185 |
| 4 | 4s | 17.665885 | .00277320 |
| 5 | 3s | 10.779139 | .01865933 |
| 6 | 5s | 4.406120 | -.04030904 |
| 7 | 5s | 2.813196 | -.00070892 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .681426 | < R2 > | .546982 | < 1/R > | 2.130603 | < 1/R**2 > | 18.484350 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126610 | .89435225 |
| 2 | 1s | 15.407397 | .10600996 |
| 3 | 2s | 9.676282 | .01798703 |
| 4 | 3s | 11.810783 | -.01487050 |
| 5 | 5s | 26.554504 | .00136018 |
| 6 | 4s | 68.287561 | -.00003308 |
| 7 | 5s | 8.560836 | .00097345 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142181 | < R2 > | .027153 | < 1/R > | 10.637926 | < 1/R**2 > | 228.530523 |
Total Energy= -150.22200151 a.u.
Kinetic Energy= 150.19085856 a.u.
Potential Energy= -300.41286007 a.u.
Virial Ratio = -2.00020736