(1s 2 2s 2 2p 2 4p 1 ) 4 S S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 7.306592 | .24389977 |
| 2 | 3p | 2.407400 | -.57267327 |
| 3 | 5p | 2.855022 | 1.50586278 |
| 4 | 4p | 4.179364 | -.67164155 |
| 5 | 5p | 9.293437 | .03162861 |
| 6 | 4p | 21.366343 | -.00282610 |
| 7 | 4p | 77.628533 | -.00004973 |
| 8 | 5p | 2.462061 | .14792566 |
| 9 | 5p | 49.422228 | -.00027208 |
| ORB.ENERGY,a.u. | -3.418000 | ||
| NORM | 1.000001 | < R > | 2.108403 | < R2 > | 5.022062 | < 1/R > | .650740 | < 1/R**2 > | 1.085051 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.580419 | 1.19536942 |
| 2 | 3p | 8.838142 | -.20754440 |
| 3 | 5p | 2.943555 | .07145371 |
| 4 | 4p | 2.781113 | -.05605373 |
| 5 | 5p | 13.612336 | .01465099 |
| 6 | 4p | 27.852700 | -.00234752 |
| 7 | 5p | 60.114252 | -.00005621 |
| 8 | 3p | 1.688398 | .00251743 |
| 9 | 3p | 43.777696 | -.00018077 |
| ORB.ENERGY,a.u. | -17.880000 | ||
| NORM | 1.000000 | < R > | .377153 | < R2 > | .174457 | < 1/R > | 3.363943 | < 1/R**2 > | 15.347664 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.596106 | .42300963 |
| 2 | 2s | 6.991448 | -.86257851 |
| 3 | 3s | 7.153690 | -.28376497 |
| 4 | 4s | 27.258884 | .00208208 |
| 5 | 3s | 14.455841 | .01972446 |
| 6 | 5s | 7.233409 | -.02777535 |
| 7 | 4s | 2.086981 | .00013028 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433655 | < R2 > | .220409 | < 1/R > | 3.381418 | < 1/R**2 > | 46.403706 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.111197 | .92674926 |
| 2 | 1s | 23.115058 | .07199574 |
| 3 | 2s | 14.084342 | .01949971 |
| 4 | 3s | 17.758061 | -.01558678 |
| 5 | 5s | 37.626397 | .00090219 |
| 6 | 4s | 89.353678 | -.00003573 |
| 7 | 5s | 12.108882 | .00034314 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096571 | < R2 > | .012501 | < 1/R > | 15.625411 | < 1/R**2 > | 491.673591 |
Total Energy= -338.35746506 a.u.
Kinetic Energy= 338.34414707 a.u.
Potential Energy= -676.70161212 a.u.
Virial Ratio = -2.00003936