(1s 2 2s 2 2p 2 4p 1 ) 2 S S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 4p- electron | |
| 1 | 2p | 7.415934 | .27429086 |
| 2 | 3p | 2.509995 | -.67059386 |
| 3 | 5p | 2.803920 | 1.41346266 |
| 4 | 4p | 4.136463 | -.65841772 |
| 5 | 5p | 10.132919 | .02313316 |
| 6 | 4p | 25.020351 | -.00173945 |
| 7 | 5p | 3.486109 | .35550582 |
| 8 | 5p | 60.686069 | -.00011518 |
| 9 | 4p | 94.392175 | -.00002133 |
| 10 | 4p | .735181 | .00013147 |
| ORB.ENERGY,a.u. | -3.481700 | ||
| NORM | 1.000001 | < R > | 2.069797 | < R2 > | 4.846872 | < 1/R > | .685996 | < 1/R**2 > | 1.323112 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.293607 | 1.13883549 |
| 2 | 3p | 7.338458 | -.16228954 |
| 3 | 2p | 15.580335 | .01991488 |
| 4 | 4p | 18.594890 | .00675013 |
| 5 | 5p | 27.040561 | -.00134751 |
| 6 | 5p | 2.314229 | -.00032044 |
| 7 | 4p | 72.842847 | .00002881 |
| ORB.ENERGY,a.u. | -17.944000 | ||
| NORM | 1.000000 | < R > | .378503 | < R2 > | .173885 | < 1/R > | 3.350113 | < 1/R**2 > | 15.242347 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.590653 | .42326639 |
| 2 | 2s | 6.995756 | -.86258961 |
| 3 | 3s | 7.157942 | -.28365123 |
| 4 | 4s | 27.263378 | .00208184 |
| 5 | 3s | 14.428002 | .02001647 |
| 6 | 5s | 7.256328 | -.02860515 |
| 7 | 4s | 2.174632 | .00015465 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433669 | < R2 > | .220423 | < 1/R > | 3.381284 | < 1/R**2 > | 46.400077 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.111197 | .92674783 |
| 2 | 1s | 23.114538 | .07199725 |
| 3 | 2s | 14.083042 | .01950116 |
| 4 | 3s | 17.757357 | -.01558680 |
| 5 | 5s | 37.584963 | .00090287 |
| 6 | 4s | 89.418891 | -.00003629 |
| 7 | 5s | 12.085252 | .00033963 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096571 | < R2 > | .012501 | < 1/R > | 15.625373 | < 1/R**2 > | 491.671400 |
Total Energy= -338.36049715 a.u.
Kinetic Energy= 338.40753670 a.u.
Potential Energy= -676.76803385 a.u.
Virial Ratio = -1.99986100