(1s 2 2s 2 2p 1 4d 1 ) 3 F Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | 4d- electron | |
| 1 | 3d | 1.878163 | 1.06913919 |
| 2 | 4d | 1.504164 | -1.60389364 |
| 3 | 3d | 3.968377 | .05395829 |
| 4 | 5d | 1.084445 | .03448482 |
| 5 | 4d | 12.694275 | .00104902 |
| 6 | 5d | 9.164993 | .00437899 |
| 7 | 3d | 16.395092 | .00018034 |
| 8 | 5d | 1.028454 | -.02334104 |
| ORB.ENERGY,a.u. | -1.177100 | ||
| NORM | 1.000000 | < R > | 3.314414 | < R2 > | 12.599612 | < 1/R > | .403537 | < 1/R**2 > | .273961 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.124416 | 1.09938095 |
| 2 | 3p | 4.925268 | -.13277360 |
| 3 | 2p | 10.137881 | .02551423 |
| 4 | 5p | 12.818363 | .00574959 |
| 5 | 5p | 2.209837 | -.00198330 |
| 6 | 4p | 3.977785 | .01217954 |
| 7 | 5p | 37.493297 | -.00007332 |
| ORB.ENERGY,a.u. | -7.267700 | ||
| NORM | 1.000000 | < R > | .585806 | < R2 > | .417223 | < 1/R > | 2.170414 | < 1/R**2 > | 6.424288 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.721989 | .33540026 |
| 2 | 2s | 3.805859 | -.79501405 |
| 3 | 3s | 5.840989 | -.27429340 |
| 4 | 4s | 20.807399 | .00164693 |
| 5 | 5s | 11.462919 | -.01549944 |
| 6 | 5s | 4.277321 | .02162428 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .658050 | < R2 > | .507911 | < 1/R > | 2.209286 | < 1/R**2 > | 19.777223 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.216836 | .92216802 |
| 2 | 1s | 16.040399 | .08035574 |
| 3 | 2s | 9.080243 | .01628127 |
| 4 | 3s | 11.639603 | -.01586773 |
| 5 | 4s | 58.012028 | -.00006494 |
| 6 | 5s | 25.327167 | .00123493 |
| 7 | 5s | 6.733530 | .00013459 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141850 | < R2 > | .026998 | < 1/R > | 10.653577 | < 1/R**2 > | 229.048693 |
Total Energy= -143.61031410 a.u.
Kinetic Energy= 143.62342780 a.u.
Potential Energy= -287.23374190 a.u.
Virial Ratio = -1.99990869