(1s 2 2s 2 2p 4 5s 1 ) 2 P F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 5s- electron | |
| 1 | 1s | 8.164102 | .01238890 |
| 2 | 2s | 2.365405 | -.05102397 |
| 3 | 3s | .792078 | .31077099 |
| 4 | 4s | .378896 | -2.08443628 |
| 5 | 5s | .272565 | 1.00984566 |
| 6 | 5s | 7.570833 | -.00534622 |
| 7 | 4s | 10.044579 | -.00233439 |
| 8 | 3s | .251712 | 1.34804298 |
| 9 | 5s | 34.503354 | -.00002884 |
| ORB.ENERGY,a.u. | -.034628 | ||
| NORM | 1.000005 | < R > | 21.719102 | < R2 > | 530.114736 | < 1/R > | .062725 | < 1/R**2 > | .026052 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.208575 | .67407356 |
| 2 | 2p | 3.942249 | .31848690 |
| 3 | 2p | 9.716425 | .01630474 |
| 4 | 3p | 1.534714 | .05677844 |
| 5 | 4p | 9.464146 | .01362651 |
| 6 | 4p | .935887 | -.04212577 |
| 7 | 3p | 12.522729 | .00307378 |
| 8 | 5p | 1.041269 | .03379274 |
| ORB.ENERGY,a.u. | -1.137300 | ||
| NORM | 1.000000 | < R > | .970088 | < R2 > | 1.195897 | < 1/R > | 1.377606 | < 1/R**2 > | 2.731412 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.502516 | .30184360 |
| 2 | 2s | 3.272712 | -.84904424 |
| 3 | 3s | 2.551435 | -.30537491 |
| 4 | 4s | 5.230320 | .02522928 |
| 5 | 3s | 9.011507 | .02826061 |
| 6 | 5s | 21.511236 | .00019548 |
| 7 | 5s | .422680 | -.01075106 |
| 8 | 4s | .294248 | .01148916 |
| 9 | 2s | 27.560575 | .00008952 |
| 10 | 3s | 1.425288 | -.00029308 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .960813 | < R2 > | 1.112279 | < 1/R > | 1.503640 | < 1/R**2 > | 9.299306 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.234453 | .87149390 |
| 2 | 1s | 12.239461 | .12089058 |
| 3 | 1s | 8.845027 | .00340698 |
| 4 | 2s | 6.014550 | .01815244 |
| 5 | 3s | 8.244249 | -.00752428 |
| 6 | 4s | 17.102269 | .00293619 |
| 7 | 5s | 52.035722 | -.00004152 |
| 8 | 5s | 4.242380 | .00044920 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632433 | < 1/R**2 > | 150.886817 |
Total Energy= -98.86682260 a.u.
Kinetic Energy= 98.86633643 a.u.
Potential Energy= -197.73315903 a.u.
Virial Ratio = -2.00000492