(1s 2 2s 1 5s 1 ) 1 S B +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 3.383292 | .02515640 |
| 2 | 2s | .431051 | -2.61322252 |
| 3 | 3s | .621731 | 4.16784647 |
| 4 | 4s | .471099 | -4.30467923 |
| 5 | 5s | .447036 | 4.00050579 |
| 6 | 5s | .847202 | -.38248322 |
| 7 | 1s | 6.015599 | .00507423 |
| 8 | 3s | 7.548636 | .00082060 |
| 9 | 4s | 14.474075 | -.00016225 |
| ORB.ENERGY,a.u. | -.096545 | ||
| NORM | 1.000008 | < R > | 15.555883 | < R2 > | 270.488477 | < 1/R > | .084435 | < 1/R**2 > | .031820 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 4.816049 | .24807824 |
| 2 | 2s | 1.133817 | -.52439115 |
| 3 | 3s | 2.305913 | -.61595375 |
| 4 | 4s | 1.271296 | .19039193 |
| 5 | 5s | .382843 | .51172145 |
| 6 | 5s | 5.169704 | -.02601606 |
| 7 | 4s | .311835 | -.59851212 |
| 8 | 3s | 19.884563 | -.00094860 |
| 9 | 4s | 27.614446 | .00052241 |
| 10 | 4s | 55.263587 | .00004220 |
| 11 | 5s | .300775 | .11501212 |
| ORB.ENERGY,a.u. | -.973510 | ||
| NORM | 1.000000 | < R > | 1.648010 | < R2 > | 3.586665 | < 1/R > | .869335 | < 1/R**2 > | 3.024899 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.320040 | .88656378 |
| 2 | 1s | 7.301736 | .12522808 |
| 3 | 2s | 3.637393 | .01712292 |
| 4 | 3s | 5.362763 | -.02348031 |
| 5 | 4s | 8.852166 | .00575727 |
| 6 | 5s | 5.219984 | -.00446492 |
| 7 | 5s | 30.769915 | -.00006857 |
| 8 | 5s | 2.324879 | .00056517 |
| ORB.ENERGY,a.u. | -7.998900 |
| NORM | 1.000000 | < R > | .325221 | < R2 > | .142687 | < 1/R > | 4.680485 | < 1/R**2 > | 44.630525 |
Total Energy= -23.47386677 a.u.
Kinetic Energy= 23.47252676 a.u.
Potential Energy= -46.94639353 a.u.
Virial Ratio = -2.00005709