(1s 2 2s 2 2p 2 3p 1 ) 2 S Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2031.
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 | 3.736523 | .54215898 |
| 2 | 3p | 1.914339 | -1.24517974 |
| 3 | 2p | 11.357161 | .00845700 |
| 4 | 4p | 6.506316 | -.04795633 |
| 5 | 5p | 3.771165 | .05943448 |
| 6 | 5p | 2.158943 | .06023097 |
| 7 | 4p | 19.804963 | -.00018555 |
| ORB.ENERGY,a.u. | -1.803000 | ||
| NORM | 1.000000 | < R > | 1.936495 | < R2 > | 4.290457 | < 1/R > | .697481 | < 1/R**2 > | 1.038296 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.795273 | 1.22108818 |
| 2 | 3p | 4.525568 | -.25642128 |
| 3 | 2p | 9.975022 | .02970911 |
| 4 | 4p | 2.087805 | .00583228 |
| 5 | 4p | 10.768986 | .00832880 |
| 6 | 5p | 23.204199 | -.00031835 |
| 7 | 5p | 2.093101 | -.00177739 |
| ORB.ENERGY,a.u. | -5.715700 | ||
| NORM | 1.000000 | < R > | .615766 | < R2 > | .464452 | < 1/R > | 2.080901 | < 1/R**2 > | 5.954616 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.934309 | .36626134 |
| 2 | 2s | 4.440077 | -.84347560 |
| 3 | 3s | 4.239913 | -.27790298 |
| 4 | 4s | 17.818461 | .00264905 |
| 5 | 3s | 10.578575 | .02089916 |
| 6 | 5s | 4.077215 | -.01990261 |
| 7 | 4s | 1.803398 | -.00023058 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .682713 | < R2 > | .549151 | < 1/R > | 2.126280 | < 1/R**2 > | 18.413845 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.124151 | .89355910 |
| 2 | 1s | 15.370825 | .10687189 |
| 3 | 2s | 9.438546 | .01815689 |
| 4 | 3s | 11.646908 | -.01498248 |
| 5 | 5s | 26.467242 | .00128435 |
| 6 | 4s | 65.389244 | -.00003751 |
| 7 | 5s | 8.925319 | .00096379 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142228 | < R2 > | .027174 | < 1/R > | 10.635590 | < 1/R**2 > | 228.451854 |
Total Energy= -150.50264134 a.u.
Kinetic Energy= 150.57300365 a.u.
Potential Energy= -301.07564498 a.u.
Virial Ratio = -1.99953270