(1s 2 2s 2 2p 5 3p 1 ) 1 S Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | .577458 | 2.38281105 |
| 2 | 3p | .909289 | -2.84719576 |
| 3 | 4p | 1.905673 | -.14050611 |
| 4 | 3p | 25.346384 | -.00012373 |
| 5 | 2p | 5.160443 | .06406179 |
| 6 | 5p | .816730 | -.52325652 |
| 7 | 5p | 5.647973 | .01109275 |
| 8 | 5p | 14.475357 | -.00098035 |
| 9 | 4p | 19.567748 | -.00076240 |
| ORB.ENERGY,a.u. | -.324070 | ||
| NORM | .999999 | < R > | 3.737889 | < R2 > | 15.589732 | < 1/R > | .316241 | < 1/R**2 > | .168249 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.529318 | 1.53755908 |
| 2 | 3p | 4.811636 | -.70400569 |
| 3 | 4p | 6.147590 | .12482819 |
| 4 | 5p | 3.231259 | .07534038 |
| 5 | 4p | 17.115327 | -.00310643 |
| 6 | 4p | .901392 | .00477152 |
| 7 | 5p | 36.241322 | -.00012428 |
| 8 | 3p | 28.394197 | -.00022069 |
| ORB.ENERGY,a.u. | -2.129000 | ||
| NORM | 1.000000 | < R > | .739262 | < R2 > | .691471 | < 1/R > | 1.796302 | < 1/R**2 > | 4.607610 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.121907 | .32136332 |
| 2 | 2s | 4.175105 | -.80980997 |
| 3 | 3s | 3.319698 | -.32171524 |
| 4 | 4s | 14.625602 | .01135530 |
| 5 | 3s | 18.390134 | .00229996 |
| 6 | 5s | 29.328509 | .00035395 |
| 7 | 5s | 2.366422 | -.00539866 |
| 8 | 4s | 2.684511 | .00860141 |
| 9 | 3s | 1.508499 | .00236580 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .752992 | < R2 > | .677957 | < 1/R > | 1.927015 | < 1/R**2 > | 15.315867 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91336974 |
| 2 | 1s | 15.492605 | .08642532 |
| 3 | 2s | 5.346408 | .01503832 |
| 4 | 3s | 7.014623 | -.01793796 |
| 5 | 4s | 9.113262 | .01105255 |
| 6 | 5s | 25.908304 | .00104871 |
| 7 | 4s | 58.359316 | -.00005770 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142772 | < R2 > | .027438 | < 1/R > | 10.611077 | < 1/R**2 > | 227.652351 |
Total Energy= -160.36035516 a.u.
Kinetic Energy= 160.31774346 a.u.
Potential Energy= -320.67809862 a.u.
Virial Ratio = -2.00026580