(1s 2 2s 2 2p 2 3p 1 ) 4 D Na 4+
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 | 2p | 3.685205 | .54414747 |
| 2 | 3p | 1.926610 | -1.23369562 |
| 3 | 2p | 11.176740 | .00898526 |
| 4 | 4p | 6.392963 | -.05215495 |
| 5 | 5p | 3.762030 | .07202765 |
| 6 | 5p | 2.377919 | .02775902 |
| 7 | 4p | 20.429072 | -.00017999 |
| ORB.ENERGY,a.u. | -1.774900 | ||
| NORM | 1.000000 | < R > | 1.959217 | < R2 > | 4.387355 | < 1/R > | .686680 | < 1/R**2 > | 1.004679 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.643425 | 1.32064593 |
| 2 | 3p | 4.264756 | -.35666447 |
| 3 | 3p | .841317 | .00010380 |
| 4 | 2p | 9.714225 | .03473530 |
| 5 | 4p | 10.597740 | .00953776 |
| 6 | 5p | 23.367129 | -.00030415 |
| 7 | 5p | 2.967996 | .02284076 |
| 8 | 4p | 2.879109 | -.03377372 |
| ORB.ENERGY,a.u. | -5.687600 | ||
| NORM | 1.000000 | < R > | .615084 | < R2 > | .463555 | < 1/R > | 2.083310 | < 1/R**2 > | 5.967592 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.978676 | .36358928 |
| 2 | 2s | 4.424628 | -.83258641 |
| 3 | 3s | 4.379472 | -.27207110 |
| 4 | 4s | 17.781782 | .00273026 |
| 5 | 3s | 10.693416 | .01909492 |
| 6 | 5s | 4.299049 | -.03330260 |
| 7 | 4s | 2.364784 | -.00095835 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .682631 | < R2 > | .549002 | < 1/R > | 2.126515 | < 1/R**2 > | 18.417615 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.124085 | .89356413 |
| 2 | 1s | 15.371113 | .10687077 |
| 3 | 2s | 9.438376 | .01815658 |
| 4 | 3s | 11.642648 | -.01498625 |
| 5 | 5s | 26.466788 | .00127870 |
| 6 | 4s | 65.179319 | -.00003783 |
| 7 | 5s | 8.932823 | .00096930 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142228 | < R2 > | .027174 | < 1/R > | 10.635587 | < 1/R**2 > | 228.451760 |
Total Energy= -150.50432923 a.u.
Kinetic Energy= 150.54493682 a.u.
Potential Energy= -301.04926606 a.u.
Virial Ratio = -1.99973026